Chem
J-GLOBAL ID:200907050559208725   Nikkaji number:J2.554.651B

(3S)-1-Methyl-3β-(3,4-dimethoxyphenyl)-1,2,3,3a,4,9bβ-hexahydro-1-aza-5-oxa-5H-cyclopenta[a]naphthalene-3aβ-carbonitrile

(3S)-1-メチル-3β-(3,4-ジメトキシフェニル)-1,2,3,3a,4,9bβ-ヘキサヒドロ-1-アザ-5-オキサ-5H-シクロペンタ[a]ナフタレン-3aβ-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: C21H22N2O3
Molecular formula furigana: C21-H22-N2-O3
Molecular weight: 350.418
InChI: InChI=1S/C21H22N2O3/c1-23-11-16(14-8-9-18(24-2)19(10-14)25-3)21(12-22)13-26-17-7-5-4-6-15(17)20(21)23/h4-10,16,20H,11,13H2,1-3H3/t16-,20-,21-/m0/s1
InChI key: MUJQLNYBRCCMTM-NDXORKPFSA-N
SMILES: COc1ccc(cc1OC)[C@@H]1CN(C)[C@H]2c3ccccc3OC[C@@]12C#N
Systematic name  (3):
  • (3S)-1-メチル-3β-(3,4-ジメトキシフェニル)-1,2,3,3a,4,9bβ-ヘキサヒドロ-1-アザ-5-オキサ-5H-シクロペンタ[a]ナフタレン-3aβ-カルボニトリル
  • (2R,5S,6S)-5-(3,4-ジメトキシフェニル)-3-メチル-8-オキサ-3-アザトリシクロ[7.4.0.02,6]トリデカ-1(13),9,11-トリエン-6-カルボニトリル
  • (2R,5S,6S)-5-(3,4-dimethoxyphenyl)-3-methyl-8-oxa-3-azatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-6-carbonitrile
Other name (1):
  • (3S)-1-Methyl-3β-(3,4-dimethoxyphenyl)-1,2,3,3a,4,9bβ-hexahydro-1-aza-5-oxa-5H-cyclopenta[a]naphthalene-3aβ-carbonitrile
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