2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyl-1H-pyrazol-5-one

Systemtic Name: 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyl-1H-pyrazol-5-one Openeye Name: 2-[2-[(2R,6S)-2,6-dimethyl-1-piperidyl]ethyl]-4-phenyl-1H-pyrazol-5-one CAS Name: 2-[2-[(2R,6S)-2,6-dimethyl-1-piperidinyl]ethyl]-4-phenyl-1H-pyrazol-5-one IUPAC Name: 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyl-1H-pyrazol-5-one Traditional Name: 1-[2-[(2R,6S)-2,6-dimethylpiperidino]ethyl]-4-phenyl-3-pyrazolin-3-one Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCN2C=C(C(=O)N2)C3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1CCN2C=C(C(=O)N2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H25N3O/c1-14-7-6-8-15(2)21(14)12-11-20-13-17(18(22)19-20)16-9-4-3-5-10-16/h3-5,9-10,13-15H,6-8,11-12H2,1-2H3,(H,19,22)/t14-,15+