N-[1-(4-fluorophenyl)ethyl]-4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-(8-nitro-5-isoquinolyl)piperazine-1-carboxamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-(8-nitro-5-isoquinolinyl)-1-piperazinecarboxamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(8-nitro-5-isoquinolyl)piperazine-1-carboxamide Formula: C22H22FN5O3 MolecularWeight: 423.440183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22FN5O3/c1-15(16-2-4-17(23)5-3-16)25-22(29)27-12-10-26(11-13-27)20-6-7-21(28(30)31)19-14-24-9-8-18(19)20/h2-9,14-15H,10-13H2,1H3,(H,25,29)