1-methyl-3-oxidanylidene-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile

Systemtic Name: 1-methyl-3-oxidanylidene-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Openeye Name: 1-methyl-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile CAS Name: 1-methyl-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile IUPAC Name: 1-methyl-3-oxo-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Traditional Name: 3-keto-1-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Formula: C20H14N4O MolecularWeight: 326.35136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1C3=C(C=C(C=C3)C#N)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C2N1C3=C(C=C(C=C3)C#N)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C20H14N4O/c1-13-9-19(25)23-18-12-22-20(15-5-3-2-4-6-15)16-10-14(11-21)7-8-17(16)24(13)18/h2-10H,12H2,1H3