[(3S)-1-[(5-ethyl-4-methyl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl]-(4-phenoxyphenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

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