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

Systemtic Name: ethyl 4-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

InChI

InChI=1S/C21H22FN5O3/c1-2-30-21(29)26-13-11-25(12-14-26)20(28)16-15-23-27(18-8-4-3-7-17(18)22)19(16)24-9-5-6-10-24/h3-10,15H,2,11-14H2,1H3