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

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] benzoate Openeye Name: [1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [1-(phthalimidomethyl)-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H26N4O4/c32-25-22-10-4-5-11-23(22)26(33)31(25)19-21(35-27(34)20-8-2-1-3-9-20)18-29-14-16-30(17-15-29)24-12-6-7-13-28-24/h1-13,21H,14-19H2