ethyl 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxylate CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]nipecotic acid ethyl ester Formula: C23H33N3O2 MolecularWeight: 383.52702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C23H33N3O2/c1-5-26-19(4)21(18(3)24-26)16-25-14-10-13-23(17-25,22(27)28-6-2)15-20-11-8-7-9-12-20/h7-9,11-12H,5-6,10,13-17H2,1-4H3