ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbonyl-3-(pyridin-3-ylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbonyl-3-(pyridin-3-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-(3-pyridylmethyl)piperidine-3-carboxylate CAS Name: 1-[[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-3-(3-pyridinylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-(pyridin-3-ylmethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-(3-pyridylmethyl)nipecotic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2N3C(=CC(=N3)C)C)CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2N3C(=CC(=N3)C)C)CC4=CN=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-4-33-25(32)26(16-21-9-7-13-27-17-21)12-8-14-29(18-26)24(31)22-10-5-6-11-23(22)30-20(3)15-19(2)28-30/h5-7,9-11,13,15,17H,4,8,12,14,16,18H2,1-3H3