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

Systemtic Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]urea Openeye Name: [6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methylurea CAS Name: [6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methylurea IUPAC Name: [6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methylurea Traditional Name: [6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methylurea Formula: C25H26N4O2 MolecularWeight: 414.49954

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2/c1-2-3-7-22-14-13-21(16-28-25(27)31)24(30)29(22)17-18-9-11-19(12-10-18)23-8-5-4-6-20(23)15-26/h4-6,8-14H,2-3,7,16-17H2,1H3,(H3,27,28,31)