(4R)-2-(3-chlorophenyl)-5-methyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(3-chlorophenyl)-5-methyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]-4H-pyrazol-3-one Openeye Name: (4R)-2-(3-chlorophenyl)-5-methyl-4-[[(2S)-2-methyl-1-piperidyl]methyl]-4H-pyrazol-3-one CAS Name: (4R)-2-(3-chlorophenyl)-5-methyl-4-[[(2S)-2-methyl-1-piperidinyl]methyl]-4H-pyrazol-3-one IUPAC Name: (4R)-2-(3-chlorophenyl)-5-methyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]-4H-pyrazol-3-one Traditional Name: (4R)-2-(3-chlorophenyl)-5-methyl-4-[[(2S)-2-methylpiperidino]methyl]-2-pyrazolin-3-one Formula: C17H22ClN3O MolecularWeight: 319.82908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

C[C@H]1CCCCN1C[C@@H]2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C17H22ClN3O/c1-12-6-3-4-9-20(12)11-16-13(2)19-21(17(16)22)15-8-5-7-14(18)10-15/h5,7-8,10,12,16H,3-4,6,9,11H2,1-2H3/t12-,16+/m0/s1