N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide

Systemtic Name: N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide Openeye Name: N-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: 2-methoxy-N-[2-[1-(1-oxobut-2-ynyl)-4-piperidinyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide Traditional Name: N-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C(C3=CC=CC=C3)OC

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C(C3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N4O3/c1-3-7-19(26)24-14-11-17(12-15-24)25-18(10-13-22-25)23-21(27)20(28-2)16-8-5-4-6-9-16/h4-6,8-10,13,17,20H,11-12,14-15H2,1-2H3,(H,23,27)