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

Systemtic Name: ethyl 4-[1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-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=C3)F)N4C=CC=C4

Isomeric SMILES

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

InChI

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