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

Systemtic Name: 2-[(1-methylpiperidin-3-yl)methyl]-4-phenyl-1H-pyrazol-5-one Openeye Name: 2-[(1-methyl-3-piperidyl)methyl]-4-phenyl-1H-pyrazol-5-one CAS Name: 2-[(1-methyl-3-piperidinyl)methyl]-4-phenyl-1H-pyrazol-5-one IUPAC Name: 2-[(1-methylpiperidin-3-yl)methyl]-4-phenyl-1H-pyrazol-5-one Traditional Name: 1-[(1-methyl-3-piperidyl)methyl]-4-phenyl-3-pyrazolin-3-one Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CN2C=C(C(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CN1CCCC(C1)CN2C=C(C(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3O/c1-18-9-5-6-13(10-18)11-19-12-15(16(20)17-19)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,17,20)