2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazino]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C23H22F3N5O3 MolecularWeight: 473.44769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3N5O3/c1-15(22(32)28-17-4-2-3-16(13-17)23(24,25)26)29-9-11-30(12-10-29)20-5-6-21(31(33)34)19-14-27-8-7-18(19)20/h2-8,13-15H,9-12H2,1H3,(H,28,32)