2-[2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-dione CAS Name: 2-[2-(2-chloro-1-oxoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methylcyclohexane-1,3-dione IUPAC Name: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methylcyclohexane-1,3-dione Traditional Name: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-quinone Formula: C20H24ClNO5 MolecularWeight: 393.86126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CCl)OC)OC

Isomeric SMILES

CC1CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CCl)OC)OC

InChI

InChI=1S/C20H24ClNO5/c1-11-6-14(23)19(15(24)7-11)20-13-9-17(27-3)16(26-2)8-12(13)4-5-22(20)18(25)10-21/h8-9,11,19-20H,4-7,10H2,1-3H3