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

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H24F3N3O4 MolecularWeight: 451.43887

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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)C(F)(F)F)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N3O4/c1-4-16-17(21(31)32-3)13(2)18(26-16)20(30)28-11-9-27(10-12-28)19(29)14-5-7-15(8-6-14)22(23,24)25/h5-8,26H,4,9-12H2,1-3H3