1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]-3-cyclohexyl-urea

Systemtic Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]-3-cyclohexyl-urea Openeye Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]-3-cyclohexyl-urea CAS Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]-3-cyclohexylurea IUPAC Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]-3-cyclohexylurea Traditional Name: 1-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]-3-cyclohexyl-urea Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CNC(=O)NC4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CNC(=O)NC4CCCCC4

InChI

InChI=1S/C31H36N4O2/c1-2-3-12-28-19-18-26(21-33-31(37)34-27-10-5-4-6-11-27)30(36)35(28)22-23-14-16-24(17-15-23)29-13-8-7-9-25(29)20-32/h7-9,13-19,27H,2-6,10-12,21-22H2,1H3,(H2,33,34,37)