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

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] cyclohexanecarboxylate Openeye Name: [1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [1-(phthalimidomethyl)-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC(CN2CCN(CC2)C3=CC=CC=N3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)C(=O)OC(CN2CCN(CC2)C3=CC=CC=N3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H32N4O4/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/h4-7,10-13,20-21H,1-3,8-9,14-19H2