1-[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-(4-chlorophenyl)butan-1-one

Systemtic Name: 1-[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-(4-chlorophenyl)butan-1-one Openeye Name: 4-(4-chlorophenyl)-1-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-(4-chlorophenyl)-1-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-(4-chlorophenyl)-1-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-(4-chlorophenyl)-1-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C19H20ClNO3 MolecularWeight: 345.82

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=C(C=C21)O)O)C(=O)CCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=CC(=C(C=C21)O)O)C(=O)CCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClNO3/c20-16-6-4-13(5-7-16)2-1-3-19(24)21-9-8-14-10-17(22)18(23)11-15(14)12-21/h4-7,10-11,22-23H,1-3,8-9,12H2