1-[5-cyclopentyl-1-[(3-methylpyridin-2-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5-cyclopentyl-1-[(3-methylpyridin-2-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5-cyclopentyl-1-[(3-methyl-2-pyridyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5-cyclopentyl-1-[(3-methyl-2-pyridinyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5-cyclopentyl-1-[(3-methylpyridin-2-yl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-cyclopentyl-2-keto-1-[(3-methyl-2-pyridyl)methyl]-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCC4)CC5=C(C=CC=N5)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCC4)CC5=C(C=CC=N5)C

InChI

InChI=1S/C29H31N5O2/c1-19-9-7-13-22(17-19)31-29(36)33-27-28(35)34(18-24-20(2)10-8-16-30-24)25-15-6-5-14-23(25)26(32-27)21-11-3-4-12-21/h5-10,13-17,21,27H,3-4,11-12,18H2,1-2H3,(H2,31,33,36)