1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidyl]-3-(1H-pyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl]-3-(1H-pyrazol-4-yl)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidino]-3-(1H-pyrazol-4-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)CCC3=CNN=C3

Isomeric SMILES

COC1=CC=CC(=C1)CC[C@H]2CCCN(C2)C(=O)CCC3=CNN=C3

InChI

InChI=1S/C20H27N3O2/c1-25-19-6-2-4-16(12-19)7-8-17-5-3-11-23(15-17)20(24)10-9-18-13-21-22-14-18/h2,4,6,12-14,17H,3,5,7-11,15H2,1H3,(H,21,22)/t17-/m1/s1