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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-7-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[2,5-dioxo-7-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[2,5-dioxo-7-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[2,5-dioxo-7-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[2,5-diketo-7-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C30H20ClF3N2O4 MolecularWeight: 564.93901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C(N(C3=O)C(C4=CC=C(C=C4)Cl)C(=O)O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C(N(C3=O)C(C4=CC=C(C=C4)Cl)C(=O)O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C30H20ClF3N2O4/c31-22-13-8-19(9-14-22)26(29(39)40)36-25(18-6-11-21(12-7-18)30(32,33)34)27(37)35-24-15-10-20(16-23(24)28(36)38)17-4-2-1-3-5-17/h1-16,25-26H,(H,35,37)(H,39,40)