[(3S)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-piperidyl]-(4-phenoxyphenyl)methanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-3-28-23(16-18(2)26-28)25(30)27-15-7-8-20(17-27)24(29)19-11-13-22(14-12-19)31-21-9-5-4-6-10-21/h4-6,9-14,16,20H,3,7-8,15,17H2,1-2H3/t20-/m0/s1