Chem
J-GLOBAL ID:200907031191707268
Nikkaji number:J1.339.832A
4-[(3aα,3bβ,7aα)-1-Oxo-2-(1,3-benzodioxole-5-ylmethyl)-3α-ethyldecahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-7β-yl]benzamidine
4-[(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-エチルデカヒドロ-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
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Substance type:
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
Molecular formula:
C26 H30 N4 O3
Molecular formula furigana:
C26-H30-N4-O3
Molecular weight:
446.551
InChI:
InChI=1S/C26H30N4O3/c1-2-18-22-19-4-3-11-29(19)24(16-6-8-17(9-7-16)25(27)28)23(22)26(31)30(18)13-15-5-10-20-21(12-15)33-14-32-20/h5-10,12,18-19,22-24H,2-4,11,13-14H2,1H3,(H3,27,28)/t18-,19+,22+,23+,24+/m1/s1
InChI key:
RCAUWWFTOCHSJH-KEXZDOINSA-N
SMILES:
CC[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C(=O)N1Cc1ccc2OCOc2c1)c1ccc(cc1)C(=N)N
Systematic name (3):
4-[(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-エチルデカヒドロ-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-[(1R,3aS,4R,8aS,8bR)-2-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-1-エチル-3-オキソ-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
4-[(1R,3aS,4R,8aS,8bR)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-oxo-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzene-1-carboximidamide
Other name (1):
4-[(3aα,3bβ,7aα)-1-Oxo-2-(1,3-benzodioxole-5-ylmethyl)-3α-ethyldecahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-7β-yl]benzamidine
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