ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[2-[4-(1-pyrazolylmethyl)phenyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]nipecotic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

InChI

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