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

Systemtic Name: 6-(2-fluorophenyl)-1-methyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Openeye Name: 6-(2-fluorophenyl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile CAS Name: 6-(2-fluorophenyl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile IUPAC Name: 6-(2-fluorophenyl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Traditional Name: 6-(2-fluorophenyl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Formula: C19H13FN4O MolecularWeight: 332.331123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=C(C=C(C=C3)C#N)C(=[N+](C2)[O-])C4=CC=CC=C4F

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)C#N)C(=[N+](C2)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C19H13FN4O/c1-12-10-22-18-11-23(25)19(14-4-2-3-5-16(14)20)15-8-13(9-21)6-7-17(15)24(12)18/h2-8,10H,11H2,1H3