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

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazino]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C23H22F3N5O4 MolecularWeight: 489.44709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22F3N5O4/c1-15(22(32)28-16-2-4-17(5-3-16)35-23(24,25)26)29-10-12-30(13-11-29)20-6-7-21(31(33)34)19-14-27-9-8-18(19)20/h2-9,14-15H,10-13H2,1H3,(H,28,32)