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

Systemtic Name: 2-[2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Openeye Name: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione CAS Name: 2-[2-(2-chloro-1-oxoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione IUPAC Name: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Traditional Name: 2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-quinone Formula: C19H22ClNO5 MolecularWeight: 379.83468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3C(=O)CCCC3=O)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3C(=O)CCCC3=O)OC

InChI

InChI=1S/C19H22ClNO5/c1-25-15-8-11-6-7-21(17(24)10-20)19(12(11)9-16(15)26-2)18-13(22)4-3-5-14(18)23/h8-9,18-19H,3-7,10H2,1-2H3