Chem
J-GLOBAL ID：200907006607957884
Nikkaji number：J1.339.789I
(3aα,3bβ,7aα)-3α-Isopropyl-2-piperonyl-7β-(4-amidinophenyl)decahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-1-one
(3aα,3bβ,7aα)-3α-イソプロピル-2-ピペロニル-7β-(4-アミジノフェニル)デカヒドロ-2,6a-ジアザ-6aH-シクロペンタ[a]ペンタレン-1-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C27H32N4O3
Molecular formula furigana： C27-H32-N4-O3
Molecular weight： 460.578
InChI：
InChI=1S/C27H32N4O3/c1-15(2)24-22-19-4-3-11-30(19)25(17-6-8-18(9-7-17)26(28)29)23(22)27(32)31(24)13-16-5-10-20-21(12-16)34-14-33-20/h5-10,12,15,19,22-25H,3-4,11,13-14H2,1-2H3,(H3,28,29)/t19-,22-,23-,24+,25-/m0/s1
InChI key：
TZROHICTGLJYJF-FTSNLURZSA-N
SMILES：
CC(C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C(=O)N1Cc1ccc2OCOc2c1)c1ccc(cc1)C(=N)N
Systematic name (6)：
- 4-[(3R,3aα,3bβ,7aα)-1-オキソ-2-(1,3-ベンゾジオキソール-5-イルメチル)-3α-イソプロピルデカヒドロ-2,6a-ジアザ-6aH-シクロペンタ[a]ペンタレン-7β-イル]ベンズアミジン
- 4-[(3aα,3bβ,7aα)-1-オキソ-2-ピペロニル-3α-イソプロピルデカヒドロ-2,6a-ジアザ-6aH-シクロペンタ[a]ペンタレン-7β-イル]ベンズアミジン
- (3aα,3bβ,7aα)-3α-イソプロピル-2-ピペロニル-7β-(4-アミジノフェニル)オクタヒドロ-2H-2,6a-ジアザ-1H-シクロペンタ[a]ペンタレン-1-オン
- (3aα,3bβ,7aα)-3α-イソプロピル-2-ピペロニル-7β-(4-アミジノフェニル)デカヒドロ-2,6a-ジアザ-6aH-シクロペンタ[a]ペンタレン-1-オン
- 4-[(1R,3aS,4R,8aS,8bR)-2-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-オキソ-1-(プロパン-2-イル)-デカヒドロピロロ[3,4-a]ピロリジン-4-イル]ベンゼン-1-カルボキシミドアミド
Show all
- 4-[(3R,3aα,3bβ,7aα)-1-Oxo-2-(1,3-benzodioxole-5-ylmethyl)-3α-isopropyldecahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-7β-yl]benzamidine
- 4-[(3aα,3bβ,7aα)-1-Oxo-2-piperonyl-3α-isopropyldecahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-7β-yl]benzamidine
- (3aα,3bβ,7aα)-3α-Isopropyl-2-piperonyl-7β-(4-amidinophenyl)octahydro-2H-2,6a-diaza-1H-cyclopenta[a]pentalene-1-one
- (3aα,3bβ,7aα)-3α-Isopropyl-2-piperonyl-7β-(4-amidinophenyl)decahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-1-one
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