1-(3H-benzimidazol-5-yl)-3-[1-[2-(2-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-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(3H-benzimidazol-5-yl)-3-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3H-benzimidazol-5-yl)-3-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3H-benzimidazol-5-yl)-3-[1-[2-(2-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-(o-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=CC=C1C(=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=CC=C1C(=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/c1-20-9-5-6-12-23(20)28(39)18-38-27-14-8-7-13-24(27)29(21-10-3-2-4-11-21)36-30(31(38)40)37-32(41)35-22-15-16-25-26(17-22)34-19-33-25/h2-17,19,30H,18H2,1H3,(H,33,34)(H2,35,37,41)