1-(4-fluorophenyl)-4-[1-(1-methylisoquinolin-3-yl)piperazin-2-yl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[1-(1-methylisoquinolin-3-yl)piperazin-2-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[1-(1-methyl-3-isoquinolyl)piperazin-2-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[1-(1-methyl-3-isoquinolinyl)-2-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[1-(1-methylisoquinolin-3-yl)piperazin-2-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[1-(1-methyl-3-isoquinolyl)piperazin-2-yl]butan-1-one Formula: C24H26FN3O MolecularWeight: 391.481143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=CC=C12)N3CCNCC3CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC(=CC2=CC=CC=C12)N3CCNCC3CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O/c1-17-22-7-3-2-5-19(22)15-24(27-17)28-14-13-26-16-21(28)6-4-8-23(29)18-9-11-20(25)12-10-18/h2-3,5,7,9-12,15,21,26H,4,6,8,13-14,16H2,1H3