[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]carbonyl piperazine-1-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]carbonyl piperazine-1-carboxylate Openeye Name: [3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazole-5-carbonyl] piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid [[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-oxomethyl] ester IUPAC Name: [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazole-5-carbonyl] piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazole-5-carbonyl] ester Formula: C20H18FN5O3 MolecularWeight: 395.387023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)OC(=O)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)OC(=O)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C20H18FN5O3/c21-15-3-1-14(2-4-15)17-16(13-5-7-22-8-6-13)18(25-24-17)19(27)29-20(28)26-11-9-23-10-12-26/h1-8,23H,9-12H2,(H,24,25)