2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H24N2O5/c27-22-14-16-5-1-2-6-18(16)24(29)26(22)15-23(28)25-10-3-7-19(25)17-8-9-20-21(13-17)31-12-4-11-30-20/h1-2,5-6,8-9,13,19H,3-4,7,10-12,14-15H2