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

Systemtic Name: tert-butyl N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]carbamate CAS Name: N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]carbamate Traditional Name: N-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]carbamic acid tert-butyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3/c1-5-6-10-25-17-16-24(19-31-28(34)35-29(2,3)4)27(33)32(25)20-21-12-14-22(15-13-21)26-11-8-7-9-23(26)18-30/h7-9,11-17H,5-6,10,19-20H2,1-4H3,(H,31,34)