1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-pyridin-3-yl-urea Openeye Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-pyridyl)urea CAS Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-pyridinyl)urea IUPAC Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-pyridin-3-ylurea Traditional Name: 1-[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-pyridyl)urea Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CN=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CN=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H35N5O3/c1-27(2,3)24(33)18-32-23-14-8-7-13-22(23)31(20-11-5-4-6-12-20)17-21(25(32)34)30-26(35)29-19-10-9-15-28-16-19/h7-10,13-16,20-21H,4-6,11-12,17-18H2,1-3H3,(H2,29,30,35)