ethyl 1-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-3,5-dimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-3,5-dimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 1-ethyl-4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-3,5-dimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 1-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H28FN3O3/c1-5-26-16(4)19(15(3)20(26)22(28)29-6-2)21(27)25-13-11-24(12-14-25)18-9-7-17(23)8-10-18/h7-10H,5-6,11-14H2,1-4H3