4-[2,3-bis(chloranyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperazin-1-yl-pentan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)N1CCC2=CC=CC=C2C1)N3CCNCC3)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

CC(CC(C(=O)N1CCC2=CC=CC=C2C1)N3CCNCC3)C4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C24H29Cl2N3O/c1-17(20-7-4-8-21(25)23(20)26)15-22(28-13-10-27-11-14-28)24(30)29-12-9-18-5-2-3-6-19(18)16-29/h2-8,17,22,27H,9-16H2,1H3