methyl 2-ethyl-5-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-5-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-5-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C)C(=O)OC

InChI

InChI=1S/C21H24FN3O4/c1-4-16-17(21(28)29-3)13(2)18(23-16)20(27)25-11-9-24(10-12-25)19(26)14-5-7-15(22)8-6-14/h5-8,23H,4,9-12H2,1-3H3