2-methyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile

Systemtic Name: 2-methyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Openeye Name: 2-methyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile CAS Name: 2-methyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile IUPAC Name: 2-methyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Traditional Name: 2-methyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Formula: C19H14N4O MolecularWeight: 314.34066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)C#N)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)C#N)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C19H14N4O/c1-13-11-22-17-8-7-14(10-20)9-16(17)19(15-5-3-2-4-6-15)23(24)12-18(22)21-13/h2-9,11H,12H2,1H3