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

Systemtic Name: ethyl 5-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-formylpiperazin-1-yl)-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-formyl-1-piperazinyl)-1,2-dioxoethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-formylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-formylpiperazino)-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-3-29-21(28)16-14(2)22-18(17(16)15-7-5-4-6-8-15)19(26)20(27)24-11-9-23(13-25)10-12-24/h4-8,13,22H,3,9-12H2,1-2H3