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

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(1-phenylisoquinolin-3-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[4-(1-phenyl-3-isoquinolyl)piperazin-1-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[4-(1-phenyl-3-isoquinolinyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[4-(1-phenylisoquinolin-3-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[4-(1-phenyl-3-isoquinolyl)piperazino]butan-1-one Formula: C29H28FN3O MolecularWeight: 453.550523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C29H28FN3O/c30-25-14-12-22(13-15-25)27(34)11-6-16-32-17-19-33(20-18-32)28-21-24-9-4-5-10-26(24)29(31-28)23-7-2-1-3-8-23/h1-5,7-10,12-15,21H,6,11,16-20H2