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

Systemtic Name: 1-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea Formula: C31H26N4O3 MolecularWeight: 502.56314

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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=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26N4O3/c1-21-12-8-9-17-24(21)27(36)20-35-26-19-11-10-18-25(26)28(22-13-4-2-5-14-22)33-29(30(35)37)34-31(38)32-23-15-6-3-7-16-23/h2-19,29H,20H2,1H3,(H2,32,34,38)