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

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperazin-1-yl-pentan-1-one Openeye Name: 4-(2,4-difluorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperazin-1-yl-pentan-1-one CAS Name: 4-(2,4-difluorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-piperazinyl)-1-pentanone IUPAC Name: 4-(2,4-difluorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperazin-1-ylpentan-1-one Traditional Name: 4-(2,4-difluorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperazino-pentan-1-one Formula: C24H29F2N3O MolecularWeight: 413.503366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29F2N3O/c1-17(21-7-6-20(25)15-22(21)26)14-23(28-12-9-27-10-13-28)24(30)29-11-8-18-4-2-3-5-19(18)16-29/h2-7,15,17,23,27H,8-14,16H2,1H3