ethyl 4-[2,5-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dioxo-3-[4-(2-pyridyl)piperazin-1-yl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dioxo-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-[4-(2-pyridyl)piperazino]-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H22N4O4/c1-2-30-22(29)16-6-8-17(9-7-16)26-20(27)15-18(21(26)28)24-11-13-25(14-12-24)19-5-3-4-10-23-19/h3-10,15H,2,11-14H2,1H3