[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3/c1-13-8-14(2)11-22(10-13)17(23)12-25-19(24)16-9-20-21-18(16)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,20,21)/t13-,14-/m0/s1