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

Systemtic Name: 3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]-1,1-dimethyl-urea Openeye Name: 3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]-1,1-dimethyl-urea CAS Name: 3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]-1,1-dimethylurea IUPAC Name: 3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]-1,1-dimethylurea Traditional Name: 3-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]-1,1-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)CNC(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2/c1-4-5-9-24-16-15-23(18-29-27(33)30(2)3)26(32)31(24)19-20-11-13-21(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)