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

Systemtic Name: phenyl N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]carbamate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

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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)OC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CNC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O3/c1-2-3-10-27-19-18-26(21-33-31(36)37-28-11-5-4-6-12-28)30(35)34(27)22-23-14-16-24(17-15-23)29-13-8-7-9-25(29)20-32/h4-9,11-19H,2-3,10,21-22H2,1H3,(H,33,36)