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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)16-6-5-13-26(15-16)21(28)19-14-24-27(18-9-7-17(23)8-10-18)20(19)25-11-3-4-12-25/h3-4,7-12,14,16H,2,5-6,13,15H2,1H3