1-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride

Systemtic Name: 1-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride Openeye Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride CAS Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride Traditional Name: 1-[7-chloro-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride Formula: C21H15Cl3N4O2 MolecularWeight: 461.7284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)[N+]4=CC=C(C=C4)C(=O)N)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)[N+]4=CC=C(C=C4)C(=O)N)Cl.[Cl-]

InChI

InChI=1S/C21H14Cl2N4O2.ClH/c22-13-5-6-17-15(11-13)18(14-3-1-2-4-16(14)23)26-20(21(29)25-17)27-9-7-12(8-10-27)19(24)28;/h1-11,20H,(H2-,24,25,26,28,29);1H