3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]propan-1-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S,5S)-3,5-dimethylpiperidino]propan-1-one Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H29N3O/c1-15-12-16(2)14-23(13-15)21(25)11-10-20-17(3)22-24(18(20)4)19-8-6-5-7-9-19/h5-9,15-16H,10-14H2,1-4H3/t15-,16-/m0/s1