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

Systemtic Name: 1-methyl-5-oxidanidyl-6-phenyl-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1-methyl-5-oxido-6-phenyl-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1-methyl-5-oxido-6-phenyl-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1-methyl-5-oxido-6-phenyl-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1-methyl-5-oxido-6-phenyl-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C19H14F3N3O MolecularWeight: 357.32917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3O/c1-12-10-23-17-11-24(26)18(13-5-3-2-4-6-13)15-9-14(19(20,21)22)7-8-16(15)25(12)17/h2-10H,11H2,1H3