ethanoic acid; 2-methyl-4-oxidanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile

Systemtic Name: ethanoic acid; 2-methyl-4-oxidanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Openeye Name: acetic acid; 4-hydroxy-2-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile CAS Name: acetic acid; 4-hydroxy-2-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile IUPAC Name: acetic acid; 4-hydroxy-2-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Traditional Name: acetic acid; 4-hydroxy-2-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Formula: C21H18N4O3 MolecularWeight: 374.39262

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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=CC=CC=C4.CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O.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/h2-9,11,19,24H,1H3;1H3,(H,3,4)