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

Systemtic Name: tert-butyl N-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]carbamate Openeye Name: tert-butyl N-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]carbamate CAS Name: N-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]carbamate Traditional Name: N-[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]carbamic acid tert-butyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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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)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-5-6-10-23-16-17-25(30-27(33)34-28(2,3)4)26(32)31(23)19-20-12-14-21(15-13-20)24-11-8-7-9-22(24)18-29/h7-9,11-17H,5-6,10,19H2,1-4H3,(H,30,33)