1-(3H-benzimidazol-5-yl)-3-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3H-benzimidazol-5-yl)-3-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(3H-benzimidazol-5-yl)-3-[2-oxo-1-[2-oxo-2-(p-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3H-benzimidazol-5-yl)-3-[1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3H-benzimidazol-5-yl)-3-[1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(3H-benzimidazol-5-yl)-3-[2-keto-1-[2-keto-2-(p-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C32H26N6O3 MolecularWeight: 542.58724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC5=C(C=C4)N=CN5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC5=C(C=C4)N=CN5)C6=CC=CC=C6

InChI

InChI=1S/C32H26N6O3/c1-20-11-13-21(14-12-20)28(39)18-38-27-10-6-5-9-24(27)29(22-7-3-2-4-8-22)36-30(31(38)40)37-32(41)35-23-15-16-25-26(17-23)34-19-33-25/h2-17,19,30H,18H2,1H3,(H,33,34)(H2,35,37,41)