1-(4-butylphenyl)-5-oxidanylidene-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-butylphenyl)-5-oxidanylidene-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-(4-butylphenyl)-5-oxo-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 1-(4-butylphenyl)-5-oxo-N-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-butylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 1-(4-butylphenyl)-5-keto-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O2/c1-2-3-6-16-8-10-19(11-9-16)24-15-17(13-20(24)25)21(26)23-14-18-7-4-5-12-22-18/h4-5,7-12,17H,2-3,6,13-15H2,1H3,(H,23,26)