3-[[2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoyl]benzoic acid Openeye Name: 3-[[1-[2-(N-isopropylanilino)-2-oxo-ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]carbamoyl]benzoic acid CAS Name: 3-[[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoyl]benzoic acid Traditional Name: 3-[[1-[2-(N-isopropylanilino)-2-keto-ethyl]-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]carbamoyl]benzoic acid Formula: C34H30N4O6 MolecularWeight: 590.6252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)C4=CC(=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)C4=CC(=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C34H30N4O6/c1-22(2)37(25-14-5-3-6-15-25)29(39)21-36-27-18-9-10-19-28(27)38(26-16-7-4-8-17-26)33(42)30(32(36)41)35-31(40)23-12-11-13-24(20-23)34(43)44/h3-20,22,30H,21H2,1-2H3,(H,35,40)(H,43,44)