Chem
J-GLOBAL ID：200907039096204098
Nikkaji number：J744.013H
4-[(10bβ-Phenyl-2,3,3aβ,3bα,4,5,6,10b-octahydrobenz[e]-as-indacen)-6aα(1H)-yl]benzonitrile
4-[(10bβ-フェニル-2,3,3aβ,3bα,4,5,6,10b-オクタヒドロベンゾ[e]-as-インダセン)-6aα(1H)-イル]ベンゾニトリル
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： C29H27N
Molecular formula furigana： C29-H27-N
Molecular weight： 389.542
InChI：
InChI=1S/C29H27N/c30-20-21-14-16-23(17-15-21)29-19-7-13-27(29)26-12-6-18-28(26,22-8-2-1-3-9-22)24-10-4-5-11-25(24)29/h1-5,8-11,14-17,26-27H,6-7,12-13,18-19H2/t26-,27-,28-,29-/m1/s1
InChI key：
PCUOJOXNFQHEGE-CXDXLJMYSA-N
SMILES：
N#Cc1ccc(cc1)[C@@]12CCC[C@@H]1[C@H]1CCC[C@@]1(c1ccccc1)c1ccccc21
Systematic name (3)：
- 4-[(10bβ-フェニル-2,3,3aβ,3bα,4,5,6,10b-オクタヒドロベンゾ[e]-as-インダセン)-6aα(1H)-イル]ベンゾニトリル
- 4-[(3aR,3bR,6aR,10bR)-10b-フェニル-1H,2H,3H,3aH,3bH,4H,5H,6H,6aH,10bH-ベンゾ[e]as-インダセン-6a-イル]ベンゾニトリル
- 4-[(3aR,3bR,6aR,10bR)-10b-phenyl-1H,2H,3H,3aH,3bH,4H,5H,6H,6aH,10bH-benzo[e]as-indacen-6a-yl]benzonitrile
- 4-[(10bβ-Phenyl-2,3,3aβ,3bα,4,5,6,10b-octahydrobenz[e]-as-indacen)-6aα(1H)-yl]benzonitrile
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