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

Systemtic Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]-3-methyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]-3-methyl-urea CAS Name: 1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]-3-methyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]-3-methylurea Traditional Name: 1-benzyl-1-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]-3-methyl-urea Formula: C33H34N4O2 MolecularWeight: 518.64866

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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(CC4=CC=CC=C4)C(=O)NC

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CN(CC4=CC=CC=C4)C(=O)NC

InChI

InChI=1S/C33H34N4O2/c1-3-4-13-30-20-19-29(24-36(33(39)35-2)22-25-10-6-5-7-11-25)32(38)37(30)23-26-15-17-27(18-16-26)31-14-9-8-12-28(31)21-34/h5-12,14-20H,3-4,13,22-24H2,1-2H3,(H,35,39)