2-(1-hept-2-ynoylpiperidin-4-yl)-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-(1-hept-2-ynoylpiperidin-4-yl)-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-(1-hept-2-ynoyl-4-piperidyl)-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-6-methyl-2-[1-(1-oxohept-2-ynyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-(1-hept-2-ynoylpiperidin-4-yl)-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-(1-hept-2-ynoyl-4-piperidyl)-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C28H31N5O2 MolecularWeight: 469.57804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCCCC#CC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C28H31N5O2/c1-3-4-5-6-7-26(34)32-17-14-22(15-18-32)27-25(13-8-21(2)30-27)28(35)31-23-9-11-24(12-10-23)33-19-16-29-20-33/h8-13,16,19-20,22H,3-5,14-15,17-18H2,1-2H3,(H,31,35)