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

Systemtic Name: ethyl 4-[[1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-(3-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H24FN5O3 MolecularWeight: 425.456063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)N4C=CC=C4

InChI

InChI=1S/C22H24FN5O3/c1-2-31-22(30)27-12-8-17(9-13-27)25-20(29)19-15-24-28(18-7-5-6-16(23)14-18)21(19)26-10-3-4-11-26/h3-7,10-11,14-15,17H,2,8-9,12-13H2,1H3,(H,25,29)