(E)-1-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-but-2-en-1-one

Systemtic Name: (E)-1-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-but-2-en-1-one Openeye Name: (E)-1-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-but-2-en-1-one CAS Name: (E)-1-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-2-buten-1-one IUPAC Name: (E)-1-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbut-2-en-1-one Traditional Name: (E)-1-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-but-2-en-1-one Formula: C20H20ClNO MolecularWeight: 325.8319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)N1CCC2=CC=CC=C2C1C3=CC=CC=C3Cl

Isomeric SMILES

C/C=C(\C)/C(=O)N1CCC2=CC=CC=C2C1C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClNO/c1-3-14(2)20(23)22-13-12-15-8-4-5-9-16(15)19(22)17-10-6-7-11-18(17)21/h3-11,19H,12-13H2,1-2H3/b14-3+