1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C24H27NO6/c1-28-21-12-16-8-9-25(15-18(16)14-22(21)29-2)24(27)7-5-19(26)17-4-6-20-23(13-17)31-11-3-10-30-20/h4,6,12-14H,3,5,7-11,15H2,1-2H3