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

Systemtic Name: 1-(3-methylphenyl)-3-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(m-tolyl)-3-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-methylphenyl)-3-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C31H27N5O3 MolecularWeight: 517.57778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27N5O3/c1-20-8-7-10-23(18-20)33-31(39)35-29-30(38)36(19-27(37)24-11-4-3-9-21(24)2)26-13-6-5-12-25(26)28(34-29)22-14-16-32-17-15-22/h3-18,29H,19H2,1-2H3,(H2,33,35,39)