2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]butyl]isoindoline-1,3-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=C5C(=CC=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=C5C(=CC=C4)OCCO5

InChI

InChI=1S/C24H27N3O4/c28-23-18-6-1-2-7-19(18)24(29)27(23)11-4-3-10-25-12-14-26(15-13-25)20-8-5-9-21-22(20)31-17-16-30-21/h1-2,5-9H,3-4,10-17H2