4-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(2S)-2-(hydroxymethyl)-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(2S)-2-(hydroxymethyl)-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[(2S)-2-methylolpiperidino]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCCC3CO

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC[C@H]3CO

InChI

InChI=1S/C18H25N3O2/c1-14-17(12-20-11-7-6-10-16(20)13-22)18(23)21(19(14)2)15-8-4-3-5-9-15/h3-5,8-9,16,22H,6-7,10-13H2,1-2H3/t16-/m0/s1