2-[(1S)-2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(1S)-2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(1S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-[(1S)-2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-[(1S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-[(1S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxy-cyclohex-2-en-1-one Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C2C3=CC=CC=C3CCN2C(=O)CCl)O

Isomeric SMILES

C1CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3CCN2C(=O)CCl)O

InChI

InChI=1S/C17H18ClNO3/c18-10-15(22)19-9-8-11-4-1-2-5-12(11)17(19)16-13(20)6-3-7-14(16)21/h1-2,4-5,17,20H,3,6-10H2/t17-/m0/s1