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

Systemtic Name: 6-(cyclohexen-1-yl)-4-oxidanyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile; ethanoic acid Openeye Name: acetic acid; 6-(cyclohexen-1-yl)-4-hydroxy-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile CAS Name: acetic acid; 6-(1-cyclohexenyl)-4-hydroxy-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile IUPAC Name: acetic acid; 6-(cyclohexen-1-yl)-4-hydroxy-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Traditional Name: acetic acid; 6-(cyclohexen-1-yl)-4-hydroxy-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCC(=CC1)C2=NC(C3=NC=CN3C4=C2C=C(C=C4)C#N)O

Isomeric SMILES

CC(=O)O.C1CCC(=CC1)C2=NC(C3=NC=CN3C4=C2C=C(C=C4)C#N)O

InChI

InChI=1S/C18H16N4O.C2H4O2/c19-11-12-6-7-15-14(10-12)16(13-4-2-1-3-5-13)21-18(23)17-20-8-9-22(15)17;1-2(3)4/h4,6-10,18,23H,1-3,5H2;1H3,(H,3,4)