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

Systemtic Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]-1,3-dimethyl-urea Openeye Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]-1,3-dimethyl-urea CAS Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]-1,3-dimethylurea IUPAC Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]-1,3-dimethylurea Traditional Name: 1-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]-1,3-dimethyl-urea Formula: C27H30N4O2 MolecularWeight: 442.5527

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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)CN(C)C(=O)NC

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CN(C)C(=O)NC

InChI

InChI=1S/C27H30N4O2/c1-4-5-9-24-16-15-23(19-30(3)27(33)29-2)26(32)31(24)18-20-11-13-21(14-12-20)25-10-7-6-8-22(25)17-28/h6-8,10-16H,4-5,9,18-19H2,1-3H3,(H,29,33)