ethyl 3-(pyridin-4-ylmethyl)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-(pyridin-4-ylmethyl)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-(4-pyridylmethyl)-1-[4-(3,4,5-trimethylpyrazol-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-(3,4,5-trimethyl-1-pyrazolyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(pyridin-4-ylmethyl)-1-[4-(3,4,5-trimethylpyrazol-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 3-(4-pyridylmethyl)-1-[4-(3,4,5-trimethylpyrazol-1-yl)benzoyl]nipecotic acid ethyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)C)C)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)C)C)CC4=CC=NC=C4

InChI

InChI=1S/C27H32N4O3/c1-5-34-26(33)27(17-22-11-14-28-15-12-22)13-6-16-30(18-27)25(32)23-7-9-24(10-8-23)31-21(4)19(2)20(3)29-31/h7-12,14-15H,5-6,13,16-18H2,1-4H3