1-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride

Systemtic Name: 1-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride Openeye Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride CAS Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride Traditional Name: 1-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride Formula: C22H18Cl2N4O2 MolecularWeight: 441.30992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)[N+]3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)[N+]3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H17ClN4O2.ClH/c1-26-18-8-7-16(23)13-17(18)19(14-5-3-2-4-6-14)25-21(22(26)29)27-11-9-15(10-12-27)20(24)28;/h2-13,21H,1H3,(H-,24,28);1H