6-(cyclohexen-1-yl)-2-methyl-4-oxidanyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile; ethanoic acid

Systemtic Name: 6-(cyclohexen-1-yl)-2-methyl-4-oxidanyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile; ethanoic acid Openeye Name: acetic acid; 6-(cyclohexen-1-yl)-4-hydroxy-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile CAS Name: acetic acid; 6-(1-cyclohexenyl)-4-hydroxy-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile IUPAC Name: acetic acid; 6-(cyclohexen-1-yl)-4-hydroxy-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Traditional Name: acetic acid; 6-(cyclohexen-1-yl)-4-hydroxy-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(C=C(C=C3)C#N)C(=NC(C2=N1)O)C4=CCCCC4.CC(=O)O

Isomeric SMILES

CC1=CN2C3=C(C=C(C=C3)C#N)C(=NC(C2=N1)O)C4=CCCCC4.CC(=O)O

InChI

InChI=1S/C19H18N4O.C2H4O2/c1-12-11-23-16-8-7-13(10-20)9-15(16)17(14-5-3-2-4-6-14)22-19(24)18(23)21-12;1-2(3)4/h5,7-9,11,19,24H,2-4,6H2,1H3;1H3,(H,3,4)