N',N'-diethyl-N-[3-thiophen-2-yl-7-(trifluoromethyl)quinoxalin-2-yl]butane-1,4-diamine

Systemtic Name: N',N'-diethyl-N-[3-thiophen-2-yl-7-(trifluoromethyl)quinoxalin-2-yl]butane-1,4-diamine Openeye Name: N',N'-diethyl-N-[3-(2-thienyl)-7-(trifluoromethyl)quinoxalin-2-yl]butane-1,4-diamine CAS Name: N',N'-diethyl-N-[3-thiophen-2-yl-7-(trifluoromethyl)-2-quinoxalinyl]butane-1,4-diamine IUPAC Name: N',N'-diethyl-N-[3-thiophen-2-yl-7-(trifluoromethyl)quinoxalin-2-yl]butane-1,4-diamine Traditional Name: diethyl-[4-[[3-(2-thienyl)-7-(trifluoromethyl)quinoxalin-2-yl]amino]butyl]amine Formula: C21H25F3N4S MolecularWeight: 422.51021

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCNC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CS3

Isomeric SMILES

CCN(CC)CCCCNC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CS3

InChI

InChI=1S/C21H25F3N4S/c1-3-28(4-2)12-6-5-11-25-20-19(18-8-7-13-29-18)26-16-10-9-15(21(22,23)24)14-17(16)27-20/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,27)