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

Systemtic Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidyl]-3-(1-methylpyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidino]-3-(1-methylpyrazol-4-yl)propan-1-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCC(=O)N2CCCC(C2)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C=C(C=N1)CCC(=O)N2CCC[C@@H](C2)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H29N3O2/c1-23-15-19(14-22-23)10-11-21(25)24-12-4-6-18(16-24)9-8-17-5-3-7-20(13-17)26-2/h3,5,7,13-15,18H,4,6,8-12,16H2,1-2H3/t18-/m1/s1