2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 6-methyl-2-[1-(1-oxohept-2-ynyl)-4-piperidinyl]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-N-(3-pyridylmethyl)nicotinamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C25H30N4O2/c1-3-4-5-6-9-23(30)29-15-12-21(13-16-29)24-22(11-10-19(2)28-24)25(31)27-18-20-8-7-14-26-17-20/h7-8,10-11,14,17,21H,3-5,12-13,15-16,18H2,1-2H3,(H,27,31)