2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-6-oxohexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione Traditional Name: 2-[6-keto-6-[4-(4-methoxyphenyl)piperazino]hexyl]isoindoline-1,3-quinone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O4/c1-32-20-12-10-19(11-13-20)26-15-17-27(18-16-26)23(29)9-3-2-6-14-28-24(30)21-7-4-5-8-22(21)25(28)31/h4-5,7-8,10-13H,2-3,6,9,14-18H2,1H3