1-[5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5-(2-fluorophenyl)-9-methyl-1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-(2-fluorophenyl)-2-keto-1-[2-keto-2-(o-tolyl)ethyl]-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C33H29FN4O3 MolecularWeight: 548.606763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C4=CC=CC=C4F)CC(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C4=CC=CC=C4F)CC(=O)C5=CC=CC=C5C

InChI

InChI=1S/C33H29FN4O3/c1-20-10-8-13-23(18-20)35-33(41)37-31-32(40)38(19-28(39)24-14-5-4-11-21(24)2)30-22(3)12-9-16-26(30)29(36-31)25-15-6-7-17-27(25)34/h4-18,31H,19H2,1-3H3,(H2,35,37,41)