N-[1-(1-but-2-ynoylpiperidin-4-yl)-2-(3-methoxyphenyl)ethyl]-N-methyl-pyridine-3-carboxamide

Systemtic Name: N-[1-(1-but-2-ynoylpiperidin-4-yl)-2-(3-methoxyphenyl)ethyl]-N-methyl-pyridine-3-carboxamide Openeye Name: N-[1-(1-but-2-ynoyl-4-piperidyl)-2-(3-methoxyphenyl)ethyl]-N-methyl-pyridine-3-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-1-[1-(1-oxobut-2-ynyl)-4-piperidinyl]ethyl]-N-methyl-3-pyridinecarboxamide IUPAC Name: N-[1-(1-but-2-ynoylpiperidin-4-yl)-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide Traditional Name: N-[1-(1-but-2-ynoyl-4-piperidyl)-2-(3-methoxyphenyl)ethyl]-N-methyl-nicotinamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)C(CC2=CC(=CC=C2)OC)N(C)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)C(CC2=CC(=CC=C2)OC)N(C)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-4-7-24(29)28-14-11-20(12-15-28)23(17-19-8-5-10-22(16-19)31-3)27(2)25(30)21-9-6-13-26-18-21/h5-6,8-10,13,16,18,20,23H,11-12,14-15,17H2,1-3H3