N-(8-nitroisoquinolin-5-yl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine

Systemtic Name: N-(8-nitroisoquinolin-5-yl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine Openeye Name: N-(8-nitro-5-isoquinolyl)-N'-[5-(trifluoromethyl)-2-pyridyl]propane-1,3-diamine CAS Name: N-(8-nitro-5-isoquinolinyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine IUPAC Name: N-(8-nitroisoquinolin-5-yl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine Traditional Name: (8-nitro-5-isoquinolyl)-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propyl]amine Formula: C18H16F3N5O2 MolecularWeight: 391.34715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)NCCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)NCCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N5O2/c19-18(20,21)12-2-5-17(25-10-12)24-8-1-7-23-15-3-4-16(26(27)28)14-11-22-9-6-13(14)15/h2-6,9-11,23H,1,7-8H2,(H,24,25)