N-(2,1,3-benzoxadiazol-4-ylmethyl)-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine

Systemtic Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine Openeye Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine CAS Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-3-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-5-quinoxalinamine IUPAC Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine Traditional Name: benzofurazan-4-ylmethyl-[3-(4-methylpiperazino)-7-(trifluoromethyl)quinoxalin-5-yl]amine Formula: C21H20F3N7O MolecularWeight: 443.42501

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CN=C3C=C(C=C(C3=N2)NCC4=CC=CC5=NON=C54)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=CN=C3C=C(C=C(C3=N2)NCC4=CC=CC5=NON=C54)C(F)(F)F

InChI

InChI=1S/C21H20F3N7O/c1-30-5-7-31(8-6-30)18-12-26-17-10-14(21(22,23)24)9-16(20(17)27-18)25-11-13-3-2-4-15-19(13)29-32-28-15/h2-4,9-10,12,25H,5-8,11H2,1H3