4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(cyclohexylmethyl)-1-piperazinyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(cyclohexylmethyl)piperazino]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoindoline-1,3-quinone Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5COC6=CC=CC=C6O5

Isomeric SMILES

C1CCC(CC1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5COC6=CC=CC=C6O5

InChI

InChI=1S/C28H33N3O4/c32-27-22-9-6-10-23(30-15-13-29(14-16-30)17-20-7-2-1-3-8-20)26(22)28(33)31(27)18-21-19-34-24-11-4-5-12-25(24)35-21/h4-6,9-12,20-21H,1-3,7-8,13-19H2