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

Systemtic Name: 1-butyl-1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]-3-phenyl-urea Openeye Name: 1-butyl-1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]-3-phenyl-urea CAS Name: 1-butyl-1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]-3-phenylurea IUPAC Name: 1-butyl-1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]-3-phenylurea Traditional Name: 1-butyl-1-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]-3-phenyl-urea Formula: C35H38N4O2 MolecularWeight: 546.70182

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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(CCCC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CN(CCCC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C35H38N4O2/c1-3-5-15-32-22-21-30(26-38(23-6-4-2)35(41)37-31-13-8-7-9-14-31)34(40)39(32)25-27-17-19-28(20-18-27)33-16-11-10-12-29(33)24-36/h7-14,16-22H,3-6,15,23,25-26H2,1-2H3,(H,37,41)