[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3/c1-18-13-19(2)16-27(15-18)24(29)17-31-25(30)23-14-22(20-9-5-3-6-10-20)26-28(23)21-11-7-4-8-12-21/h3-12,14,18-19H,13,15-17H2,1-2H3/t18-,19-/m1/s1