ethyl 4-[2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-hept-2-ynoylpiperidin-4-yl)-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-(1-oxohept-2-ynyl)-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-hept-2-ynoylpiperidin-4-yl)-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1-hept-2-ynoyl-4-piperidyl)-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C26H36N4O4/c1-4-6-7-8-9-23(31)28-14-12-21(13-15-28)24-22(11-10-20(3)27-24)25(32)29-16-18-30(19-17-29)26(33)34-5-2/h10-11,21H,4-7,12-19H2,1-3H3