1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-yl-propan-1-one Openeye Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidyl]-3-pyrazol-1-yl-propan-1-one CAS Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl]-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one Traditional Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidino]-3-pyrazol-1-yl-propan-1-one Formula: C20H27N3O2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2CCCN(C2)C(=O)CCN3C=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)CC[C@H]2CCCN(C2)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C20H27N3O2/c1-25-19-7-2-5-17(15-19)8-9-18-6-3-12-22(16-18)20(24)10-14-23-13-4-11-21-23/h2,4-5,7,11,13,15,18H,3,6,8-10,12,14,16H2,1H3/t18-/m1/s1