[1-(4-chlorophenyl)carbonyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl] 4-chloranylbenzoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl] 4-chloranylbenzoate Openeye Name: [1-(4-chlorobenzoyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-[(4-chlorophenyl)-oxomethyl]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [1-(4-chlorobenzoyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-(4-chlorobenzoyl)-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-3-yl] ester Formula: C29H17Cl2FN2O4 MolecularWeight: 547.360683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2C(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2C(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5F

InChI

InChI=1S/C29H17Cl2FN2O4/c30-19-13-9-17(10-14-19)27(35)34-24-8-4-2-6-22(24)25(21-5-1-3-7-23(21)32)33-26(28(34)36)38-29(37)18-11-15-20(31)16-12-18/h1-16,26H