Chem
J-GLOBAL ID：200907072088235291   Nikkaji number：J2.452.052H

(4aS)-3-Ethyl-5,7-dioxo-6,8-dimethyl-9-benzyl-1,4aα,5,6,7,8,9,10,10aα-nonahydro-2-oxa-6,8,9-triazaphenanthrene-4-carbonitrile

(4aS)-3-エチル-5,7-ジオキソ-6,8-ジメチル-9-ベンジル-1,4aα,5,6,7,8,9,10,10aα-ノナヒドロ-2-オキサ-6,8,9-トリアザフェナントレン-4-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： C22H24N4O3
Molecular formula furigana： C22-H24-N4-O3
Molecular weight： 392.459
InChI： InChI=1S/C22H24N4O3/c1-4-17-16(10-23)18-15(13-29-17)12-26(11-14-8-6-5-7-9-14)20-19(18)21(27)25(3)22(28)24(20)2/h5-9,15,18H,4,11-13H2,1-3H3/t15-,18-/m0/s1
InChI key： YVCWQRICGSYIKM-YJBOKZPZSA-N
SMILES： CCC1=C(C#N)[C@@H]2[C@H](CO1)CN(Cc1ccccc1)c1c2c(=O)n(C)c(=O)n1C
Systematic name  (3)：
  • (4aS)-3-エチル-5,7-ジオキソ-6,8-ジメチル-9-ベンジル-1,4aα,5,6,7,8,9,10,10aα-ノナヒドロ-2-オキサ-6,8,9-トリアザフェナントレン-4-カルボニトリル
  • (1S,10S)-8-ベンジル-13-エチル-4,6-ジメチル-3,5-ジオキソ-12-オキサ-4,6,8-トリアザトリシクロ[8.4.0.02,7]テトラデカ-2(7),13-ジエン-14-カルボニトリル
  • (1S,10S)-8-benzyl-13-ethyl-4,6-dimethyl-3,5-dioxo-12-oxa-4,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),13-diene-14-carbonitrile
Other name (1)：
  • (4aS)-3-Ethyl-5,7-dioxo-6,8-dimethyl-9-benzyl-1,4aα,5,6,7,8,9,10,10aα-nonahydro-2-oxa-6,8,9-triazaphenanthrene-4-carbonitrile
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