1-(4-fluoranyl-2-nitro-phenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 1-(4-fluoranyl-2-nitro-phenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-(3-isoquinolyl)piperazin-1-yl]butan-1-one CAS Name: 1-(4-fluoro-2-nitrophenyl)-4-[4-(3-isoquinolinyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluoro-2-nitrophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-(3-isoquinolyl)piperazino]butan-1-one Formula: C23H23FN4O3 MolecularWeight: 422.452123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C23H23FN4O3/c24-19-7-8-20(21(15-19)28(30)31)22(29)6-3-9-26-10-12-27(13-11-26)23-14-17-4-1-2-5-18(17)16-25-23/h1-2,4-5,7-8,14-16H,3,6,9-13H2