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

Systemtic Name: 2-methylpropyl N-butyl-N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]carbamate Openeye Name: isobutyl N-butyl-N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]carbamate CAS Name: N-butyl-N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-butyl-N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]carbamate Traditional Name: N-butyl-N-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]carbamic acid isobutyl ester Formula: C33H41N3O3 MolecularWeight: 527.69694

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H41N3O3/c1-5-7-12-30-19-18-29(23-35(20-8-6-2)33(38)39-24-25(3)4)32(37)36(30)22-26-14-16-27(17-15-26)31-13-10-9-11-28(31)21-34/h9-11,13-19,25H,5-8,12,20,22-24H2,1-4H3