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

Systemtic Name: 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[4-methylol-4-(2-phenoxyethyl)piperidino]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)(CCOC4=CC=CC=C4)CO

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)(CCOC4=CC=CC=C4)CO

InChI

InChI=1S/C26H33N3O3/c1-21-24(25(31)29(27(21)2)22-9-5-3-6-10-22)19-28-16-13-26(20-30,14-17-28)15-18-32-23-11-7-4-8-12-23/h3-12,30H,13-20H2,1-2H3