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

Systemtic Name: 1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-3-(1H-pyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-3-(1H-pyrazol-4-yl)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidino]-3-(1H-pyrazol-4-yl)propan-1-one Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCCN(C2)C(=O)CCC3=CNN=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-25-19-9-6-16(7-10-19)4-5-17-3-2-12-23(15-17)20(24)11-8-18-13-21-22-14-18/h6-7,9-10,13-14,17H,2-5,8,11-12,15H2,1H3,(H,21,22)/t17-/m1/s1