5-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one

Systemtic Name: 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one Openeye Name: 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one CAS Name: 5-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-pentanone IUPAC Name: 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one Traditional Name: 5-[4-(3,4-dichlorophenyl)piperazino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one Formula: C24H29Cl2N3O MolecularWeight: 446.41256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H29Cl2N3O/c25-22-9-8-21(17-23(22)26)28-15-13-27(14-16-28)11-4-3-7-24(30)29-12-10-19-5-1-2-6-20(19)18-29/h1-2,5-6,8-9,17H,3-4,7,10-16,18H2