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

Systemtic Name: 2-[6-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-oxidanylidene-hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-oxo-hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-6-oxohexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione Traditional Name: 2-[6-keto-6-(4-m-anisylpiperazino)hexyl]isoindoline-1,3-quinone Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H31N3O4/c1-33-21-9-7-8-20(18-21)19-27-14-16-28(17-15-27)24(30)12-3-2-6-13-29-25(31)22-10-4-5-11-23(22)26(29)32/h4-5,7-11,18H,2-3,6,12-17,19H2,1H3