1-[7-chloranyl-5-(4-methylphenyl)-2-oxidanylidene-1-(4-phenylphenyl)-3H-1,4-benzodiazepin-3-yl]-2H-pyridine-3-carboxylic acid

Systemtic Name: 1-[7-chloranyl-5-(4-methylphenyl)-2-oxidanylidene-1-(4-phenylphenyl)-3H-1,4-benzodiazepin-3-yl]-2H-pyridine-3-carboxylic acid Openeye Name: 1-[7-chloro-2-oxo-1-(4-phenylphenyl)-5-(p-tolyl)-3H-1,4-benzodiazepin-3-yl]-2H-pyridine-3-carboxylic acid CAS Name: 1-[7-chloro-5-(4-methylphenyl)-2-oxo-1-(4-phenylphenyl)-3H-1,4-benzodiazepin-3-yl]-2H-pyridine-3-carboxylic acid IUPAC Name: 1-[7-chloro-5-(4-methylphenyl)-2-oxo-1-(4-phenylphenyl)-3H-1,4-benzodiazepin-3-yl]-2H-pyridine-3-carboxylic acid Traditional Name: 1-[7-chloro-2-keto-1-(4-phenylphenyl)-5-(p-tolyl)-3H-1,4-benzodiazepin-3-yl]-2H-pyridine-3-carboxylic acid Formula: C34H26ClN3O3 MolecularWeight: 560.04154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5)N6CC(=CC=C6)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5)N6CC(=CC=C6)C(=O)O

InChI

InChI=1S/C34H26ClN3O3/c1-22-9-11-25(12-10-22)31-29-20-27(35)15-18-30(29)38(28-16-13-24(14-17-28)23-6-3-2-4-7-23)33(39)32(36-31)37-19-5-8-26(21-37)34(40)41/h2-20,32H,21H2,1H3,(H,40,41)