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

Systemtic Name: 1-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide Openeye Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide CAS Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-pyridin-1-iumcarboxamide IUPAC Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide Traditional Name: 1-[7-chloro-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide Formula: C21H15Cl2N4O2+ MolecularWeight: 426.2754

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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

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

InChI

InChI=1S/C21H14Cl2N4O2/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)/p+1