(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-25-17-9-13-4-5-23(12-15(13)11-18(17)26-2)21(24)14-8-16(22)20-19(10-14)27-6-3-7-28-20/h8-11H,3-7,12H2,1-2H3