ethyl 1-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

InChI

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