2-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-5-methyl-3-pyrazolin-3-one Formula: C19H15ClN4O2 MolecularWeight: 366.801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(N1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O2/c1-12-9-18(25)24(22-12)17-11-23(26)19(13-5-3-2-4-6-13)15-10-14(20)7-8-16(15)21-17/h2-10,22H,11H2,1H3