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

Systemtic Name: 1-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Openeye Name: 3-(1-methylpyrazol-4-yl)-1-[3-[2-(o-tolyl)ethyl]-1-piperidyl]propan-1-one CAS Name: 1-[3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Traditional Name: 3-(1-methylpyrazol-4-yl)-1-[3-[2-(o-tolyl)ethyl]piperidino]propan-1-one Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CCCN(C2)C(=O)CCC3=CN(N=C3)C

Isomeric SMILES

CC1=CC=CC=C1CCC2CCCN(C2)C(=O)CCC3=CN(N=C3)C

InChI

InChI=1S/C21H29N3O/c1-17-6-3-4-8-20(17)11-9-18-7-5-13-24(16-18)21(25)12-10-19-14-22-23(2)15-19/h3-4,6,8,14-15,18H,5,7,9-13,16H2,1-2H3