2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[4-(3,4-dichlorophenyl)piperazino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C22H25Cl2N3O MolecularWeight: 418.3594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O/c1-16(22(28)27-9-8-17-4-2-3-5-18(17)15-27)25-10-12-26(13-11-25)19-6-7-20(23)21(24)14-19/h2-7,14,16H,8-13,15H2,1H3