Chem
J-GLOBAL ID：201607002868844440
Nikkaji number：J3.485.514E
(5β)-2-(4-Methoxyphenyl)-3-azabicyclo[3.1.0]hexa-2-ene-1β-carbonitrile
(5β)-2-(4-メトキシフェニル)-3-アザビシクロ[3.1.0]ヘキサ-2-エン-1β-カルボニトリル
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： C13H12N2O
Molecular formula furigana： C13-H12-N2-O
Molecular weight： 212.252
InChI：
InChI=1S/C13H12N2O/c1-16-11-4-2-9(3-5-11)12-13(8-14)6-10(13)7-15-12/h2-5,10H,6-7H2,1H3/t10-,13+/m0/s1
InChI key：
IXZHNTPTPUEOPE-GXFFZTMASA-N
SMILES：
COc1ccc(cc1)C1=NC[C@@H]2C[C@]12C#N
Systematic name (3)：
- (5β)-2-(4-メトキシフェニル)-3-アザビシクロ[3.1.0]ヘキサ-2-エン-1β-カルボニトリル
- (1R,5R)-2-(4-メトキシフェニル)-3-アザビシクロ[3.1.0]ヘキサ-2-エン-1-カルボニトリル
- (1R,5R)-2-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1-carbonitrile
- (5β)-2-(4-Methoxyphenyl)-3-azabicyclo[3.1.0]hexa-2-ene-1β-carbonitrile
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