O4-[2-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] O1-ethyl piperazine-1,4-dicarboxylate

Systemtic Name: O4-[2-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] O1-ethyl piperazine-1,4-dicarboxylate Openeye Name: O4-[2-(5-chloro-2-pyridyl)-3-oxo-isoindolin-1-yl] O1-ethyl piperazine-1,4-dicarboxylate CAS Name: piperazine-1,4-dicarboxylic acid O4-[2-(5-chloro-2-pyridinyl)-3-oxo-1H-isoindol-1-yl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(5-chloropyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 1-O-ethyl piperazine-1,4-dicarboxylate Traditional Name: piperazine-1,4-dicarboxylic acid O4-[2-(5-chloro-2-pyridyl)-3-keto-isoindolin-1-yl] ester O1-ethyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O5/c1-2-30-20(28)24-9-11-25(12-10-24)21(29)31-19-16-6-4-3-5-15(16)18(27)26(19)17-8-7-14(22)13-23-17/h3-8,13,19H,2,9-12H2,1H3