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

Systemtic Name: 1-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-pyrrolidin-1-ylphenyl)urea Openeye Name: 1-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-pyrrolidin-1-ylphenyl)urea CAS Name: 1-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[3-(1-pyrrolidinyl)phenyl]urea IUPAC Name: 1-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-pyrrolidin-1-ylphenyl)urea Traditional Name: 1-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-pyrrolidinophenyl)urea Formula: C35H33N5O3 MolecularWeight: 571.66822

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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)N5CCCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)N5CCCC5)C6=CC=CC=C6

InChI

InChI=1S/C35H33N5O3/c1-24-12-5-6-17-28(24)31(41)23-40-30-19-8-7-18-29(30)32(25-13-3-2-4-14-25)37-33(34(40)42)38-35(43)36-26-15-11-16-27(22-26)39-20-9-10-21-39/h2-8,11-19,22,33H,9-10,20-21,23H2,1H3,(H2,36,38,43)