2-[3-(4-chlorophenyl)-7-cyclopropyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-7-cyclopropyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-7-cyclopropyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[3-(4-chlorophenyl)-7-cyclopropyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-7-cyclopropyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[3-(4-chlorophenyl)-7-cyclopropyl-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC3=C(C=C2)NC(=O)C(N(C3=O)C(C4=CC=CC=C4)C(=O)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC1C2=CC3=C(C=C2)NC(=O)C(N(C3=O)C(C4=CC=CC=C4)C(=O)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN2O4/c27-19-11-8-17(9-12-19)22-24(30)28-21-13-10-18(15-6-7-15)14-20(21)25(31)29(22)23(26(32)33)16-4-2-1-3-5-16/h1-5,8-15,22-23H,6-7H2,(H,28,30)(H,32,33)