N-[(2-ethoxyphenyl)methyl]-2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-pyridine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(1-oxohept-2-ynyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-(1-hept-2-ynoylpiperidin-4-yl)-6-methylpyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-nicotinamide Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCC3=CC=CC=C3OCC

Isomeric SMILES

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCC3=CC=CC=C3OCC

InChI

InChI=1S/C28H35N3O3/c1-4-6-7-8-13-26(32)31-18-16-22(17-19-31)27-24(15-14-21(3)30-27)28(33)29-20-23-11-9-10-12-25(23)34-5-2/h9-12,14-15,22H,4-7,16-20H2,1-3H3,(H,29,33)