ethyl 4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24FN3O3 MolecularWeight: 373.421263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O3/c1-4-27-20(26)23-11-9-22(10-12-23)19(25)18-13-14(2)24(15(18)3)17-7-5-16(21)6-8-17/h5-8,13H,4,9-12H2,1-3H3