Chem
J-GLOBAL ID:200907048662014390   Nikkaji number:J2.144.770F

(4aS,8aS)-6α-Hydroxy-4aα,5,9,10,11,12-hexahydro-3-methoxy-1,11-dimethyl-6H-benzofuro[3a,3,2-ef][2]benzazepine-12-carbonitrile

(4aS,8aS)-6α-ヒドロキシ-4aα,5,9,10,11,12-ヘキサヒドロ-3-メトキシ-1,11-ジメチル-6H-ベンゾフロ[3a,3,2-ef][2]ベンゾアゼピン-12-カルボニトリル
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: C19H22N2O3
Molecular formula furigana: C19-H22-N2-O3
Molecular weight: 326.396
InChI: InChI=1S/C19H22N2O3/c1-11-8-14(23-3)18-17-16(11)13(10-20)21(2)7-6-19(17)5-4-12(22)9-15(19)24-18/h4-5,8,12-13,15,22H,6-7,9H2,1-3H3/t12-,13?,15+,19+/m1/s1
InChI key: GIBCMTQLODWGLY-RCNOYZOZSA-N
SMILES: COc1cc(C)c2C(C#N)N(C)CC[C@@]34C=C[C@@H](O)C[C@@H]3Oc1c24
Systematic name  (3):
  • (4aS,8aS)-6α-ヒドロキシ-4aα,5,9,10,11,12-ヘキサヒドロ-3-メトキシ-1,11-ジメチル-6H-ベンゾフロ[3a,3,2-ef][2]ベンゾアゼピン-12-カルボニトリル
  • (1S,12S,14S)-14-ヒドロキシ-9-メトキシ-4,7-ジメチル-11-オキサ-4-アザテトラシクロ[8.6.1.01,12.06,17]ヘプタデカ-6,8,10(17),15-テトラエン-5-カルボニトリル
  • (1S,12S,14S)-14-hydroxy-9-methoxy-4,7-dimethyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-5-carbonitrile
Other name (1):
  • (4aS,8aS)-6α-Hydroxy-4aα,5,9,10,11,12-hexahydro-3-methoxy-1,11-dimethyl-6H-benzofuro[3a,3,2-ef][2]benzazepine-12-carbonitrile
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