8-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-5-amine

Systemtic Name: 8-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-5-amine Openeye Name: 8-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-5-amine CAS Name: 8-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]-5-isoquinolinamine IUPAC Name: 8-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-5-amine Traditional Name: (8-nitro-5-isoquinolyl)-[3-(trifluoromethyl)benzyl]amine Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O2/c18-17(19,20)12-3-1-2-11(8-12)9-22-15-4-5-16(23(24)25)14-10-21-7-6-13(14)15/h1-8,10,22H,9H2