2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Openeye Name: 2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 6-methyl-2-[1-(1-oxohept-2-ynyl)-4-piperidinyl]-N-(2-thiophen-2-ylethyl)-3-pyridinecarboxamide IUPAC Name: 2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Traditional Name: 2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-N-[2-(2-thienyl)ethyl]nicotinamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C25H31N3O2S/c1-3-4-5-6-9-23(29)28-16-13-20(14-17-28)24-22(11-10-19(2)27-24)25(30)26-15-12-21-8-7-18-31-21/h7-8,10-11,18,20H,3-5,12-17H2,1-2H3,(H,26,30)