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

Systemtic Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]-3-(1H-pyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]-3-(1H-pyrazol-4-yl)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]-3-(1H-pyrazol-4-yl)propan-1-one Formula: C20H27N3O MolecularWeight: 325.44788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CCCN(C2)C(=O)CCC3=CNN=C3

Isomeric SMILES

CC1=CC=CC=C1CC[C@H]2CCCN(C2)C(=O)CCC3=CNN=C3

InChI

InChI=1S/C20H27N3O/c1-16-5-2-3-7-19(16)10-8-17-6-4-12-23(15-17)20(24)11-9-18-13-21-22-14-18/h2-3,5,7,13-14,17H,4,6,8-12,15H2,1H3,(H,21,22)/t17-/m1/s1