N-(2-fluorophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-fluorophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: N-(2-fluorophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propanamide CAS Name: N-(2-fluorophenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-fluorophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: N-(2-fluorophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]propionamide Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

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