ethyl 4-[2-[4-(4-chlorophenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(4-chlorophenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-chlorophenyl)-2-keto-3H-1,5-benzodiazepin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C26H22ClN3O4 MolecularWeight: 475.92358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O4/c1-2-34-26(33)18-9-13-20(14-10-18)28-24(31)16-30-23-6-4-3-5-21(23)29-22(15-25(30)32)17-7-11-19(27)12-8-17/h3-14H,2,15-16H2,1H3,(H,28,31)