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

Systemtic Name: 2-[2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-dione CAS Name: 2-[2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5-methylcyclohexane-1,3-dione IUPAC Name: 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5-methylcyclohexane-1,3-dione Traditional Name: 2-[2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-quinone Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3/c1-11-8-14(21)17(15(22)9-11)18-13-5-3-2-4-12(13)6-7-20(18)16(23)10-19/h2-5,11,17-18H,6-10H2,1H3