1-[3-(3,4-dichlorophenyl)-5-oxidanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pentan-1-one

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-5-oxidanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pentan-1-one Openeye Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pentan-1-one CAS Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-pentanone IUPAC Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pentan-1-one Traditional Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pentan-1-one Formula: C20H21Cl2NO2 MolecularWeight: 378.29224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1C2=C(CC(N1)C3=CC(=C(C=C3)Cl)Cl)C(=CC=C2)O

Isomeric SMILES

CCCCC(=O)C1C2=C(CC(N1)C3=CC(=C(C=C3)Cl)Cl)C(=CC=C2)O

InChI

InChI=1S/C20H21Cl2NO2/c1-2-3-6-19(25)20-13-5-4-7-18(24)14(13)11-17(23-20)12-8-9-15(21)16(22)10-12/h4-5,7-10,17,20,23-24H,2-3,6,11H2,1H3