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

Systemtic Name: 2-[7-butan-2-yl-3-(4-chlorophenyl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-2,5-dioxo-7-sec-butyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[7-butan-2-yl-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[7-butan-2-yl-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[3-(4-chlorophenyl)-2,5-diketo-7-sec-butyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC(=O)C(N(C2=O)C(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)NC(=O)C(N(C2=O)C(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClN2O4/c1-3-16(2)19-11-14-22-21(15-19)26(32)30(24(27(33)34)17-7-5-4-6-8-17)23(25(31)29-22)18-9-12-20(28)13-10-18/h4-16,23-24H,3H2,1-2H3,(H,29,31)(H,33,34)