ethyl 1-[1-(3-fluorophenyl)-5-phenyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(3-fluorophenyl)-5-phenyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-fluorophenyl)-5-phenyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3-fluorophenyl)-5-phenyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-fluorophenyl)-5-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-fluorophenyl)-5-phenyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H24FN3O3/c1-2-31-24(30)18-10-7-13-27(16-18)23(29)21-15-26-28(20-12-6-11-19(25)14-20)22(21)17-8-4-3-5-9-17/h3-6,8-9,11-12,14-15,18H,2,7,10,13,16H2,1H3