1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[3-[homoveratryl(methyl)amino]piperidino]-2-pyrazol-1-yl-ethanone Formula: C21H30N4O3 MolecularWeight: 386.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CN3C=CC=N3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CN3C=CC=N3

InChI

InChI=1S/C21H30N4O3/c1-23(13-9-17-7-8-19(27-2)20(14-17)28-3)18-6-4-11-24(15-18)21(26)16-25-12-5-10-22-25/h5,7-8,10,12,14,18H,4,6,9,11,13,15-16H2,1-3H3