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

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-phenoxybenzoyl)-1-piperidyl]ethanone CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-1-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]ethanone IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-phenoxybenzoyl)piperidino]ethanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3/c1-18-15-19(2)28(26-18)17-24(29)27-14-6-7-21(16-27)25(30)20-10-12-23(13-11-20)31-22-8-4-3-5-9-22/h3-5,8-13,15,21H,6-7,14,16-17H2,1-2H3/t21-/m0/s1