[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] propanoate

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] propanoate Openeye Name: [1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] propanoate CAS Name: propanoic acid [1-(1,3-dioxo-2-isoindolyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(1,3-dioxoisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] propanoate Traditional Name: propionic acid [1-(phthalimidomethyl)-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N4O4/c1-2-21(28)31-17(16-27-22(29)18-7-3-4-8-19(18)23(27)30)15-25-11-13-26(14-12-25)20-9-5-6-10-24-20/h3-10,17H,2,11-16H2,1H3