2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxo-butyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-oxobutyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxobutyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-keto-butyl]-5-methyl-isoindoline-1,3-quinone Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H28N2O5/c1-17-7-9-19-20(15-17)26(31)28(25(19)30)12-3-6-24(29)27-11-2-5-21(27)18-8-10-22-23(16-18)33-14-4-13-32-22/h7-10,15-16,21H,2-6,11-14H2,1H3