ethyl 5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-acetyl-1-piperazinyl)-1,2-dioxoethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-acetylpiperazino)-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C22H25N3O5/c1-4-30-22(29)17-14(2)23-19(18(17)16-8-6-5-7-9-16)20(27)21(28)25-12-10-24(11-13-25)15(3)26/h5-9,23H,4,10-13H2,1-3H3