4-[4-(7-butoxyisoquinolin-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[4-(7-butoxyisoquinolin-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[4-(7-butoxy-3-isoquinolyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[4-(7-butoxy-3-isoquinolinyl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[4-(7-butoxyisoquinolin-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[4-(7-butoxy-3-isoquinolyl)piperazino]-1-(4-fluorophenyl)butan-1-one Formula: C27H32FN3O2 MolecularWeight: 449.560283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=CN=C(C=C2C=C1)N3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCOC1=CC2=CN=C(C=C2C=C1)N3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H32FN3O2/c1-2-3-17-33-25-11-8-22-19-27(29-20-23(22)18-25)31-15-13-30(14-16-31)12-4-5-26(32)21-6-9-24(28)10-7-21/h6-11,18-20H,2-5,12-17H2,1H3