(7-chloranyl-1,3-benzodioxol-5-yl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)OCC

InChI

InChI=1S/C21H22ClNO5/c1-3-25-17-8-13-5-6-23(11-15(13)10-18(17)26-4-2)21(24)14-7-16(22)20-19(9-14)27-12-28-20/h7-10H,3-6,11-12H2,1-2H3