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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3

InChI

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