1-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 1-[(3S)-3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]-2-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 1-[(3S)-3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-2-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidino]-2-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCCC(C2)C(=O)C3=C(C=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)Cl)C)C

InChI

InChI=1S/C20H24ClN3O2/c1-13-9-17(21)6-7-18(13)20(26)16-5-4-8-23(11-16)19(25)12-24-15(3)10-14(2)22-24/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3/t16-/m0/s1