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

Systemtic Name: ethyl 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

InChI

InChI=1S/C22H23FN4O3/c1-2-30-22(29)16-9-13-26(14-10-16)21(28)19-15-24-27(18-7-5-17(23)6-8-18)20(19)25-11-3-4-12-25/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3