Chem
J-GLOBAL ID：201207070642480255
Nikkaji number：J3.022.599F
(3aS)-4α-(6-Bromo-1,3-benzodioxole-5-yl)-8-isopropyl-3aβ,4,5,9bβ-tetrahydro-3H-cyclopenta[c]quinoline
(3aS)-4α-(6-ブロモ-1,3-ベンゾジオキソール-5-イル)-8-イソプロピル-3aβ,4,5,9bβ-テトラヒドロ-3H-シクロペンタ[c]キノリン
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： C22H22BrNO2
Molecular formula furigana： C22-H22-BR-N-O2
Molecular weight： 412.327
InChI：
InChI=1S/C22H22BrNO2/c1-12(2)13-6-7-19-16(8-13)14-4-3-5-15(14)22(24-19)17-9-20-21(10-18(17)23)26-11-25-20/h3-4,6-10,12,14-15,22,24H,5,11H2,1-2H3/t14-,15+,22-/m1/s1
InChI key：
QTOCPACSSHFGOY-ZCCHDVMBSA-N
SMILES：
CC(C)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br
Systematic name (3)：
- (3aS)-4α-(6-ブロモ-1,3-ベンゾジオキソール-5-イル)-8-イソプロピル-3aβ,4,5,9bβ-テトラヒドロ-3H-シクロペンタ[c]キノリン
- (3aS,4R,9bR)-4-(6-ブロモ-2H-1,3-ベンゾジオキソール-5-イル)-8-(プロパン-2-イル)-3H,3aH,4H,5H,9bH-シクロペンタ[c]キノリン
- (3aS,4R,9bR)-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-8-(propan-2-yl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
- (3aS)-4α-(6-Bromo-1,3-benzodioxole-5-yl)-8-isopropyl-3aβ,4,5,9bβ-tetrahydro-3H-cyclopenta[c]quinoline
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