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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3/c1-3-20-16-23(27(2)26-20)25(30)28-15-7-8-19(17-28)24(29)18-11-13-22(14-12-18)31-21-9-5-4-6-10-21/h4-6,9-14,16,19H,3,7-8,15,17H2,1-2H3/t19-/m0/s1