N-[5-chloranyl-3-thiophen-2-yl-7-(trifluoromethyl)quinoxalin-2-yl]-N',N'-diethyl-butane-1,4-diamine

Systemtic Name: N-[5-chloranyl-3-thiophen-2-yl-7-(trifluoromethyl)quinoxalin-2-yl]-N',N'-diethyl-butane-1,4-diamine Openeye Name: N-[5-chloro-3-(2-thienyl)-7-(trifluoromethyl)quinoxalin-2-yl]-N',N'-diethyl-butane-1,4-diamine CAS Name: N-[5-chloro-3-thiophen-2-yl-7-(trifluoromethyl)-2-quinoxalinyl]-N',N'-diethylbutane-1,4-diamine IUPAC Name: N-[5-chloro-3-thiophen-2-yl-7-(trifluoromethyl)quinoxalin-2-yl]-N',N'-diethylbutane-1,4-diamine Traditional Name: 4-[[5-chloro-3-(2-thienyl)-7-(trifluoromethyl)quinoxalin-2-yl]amino]butyl-diethyl-amine Formula: C21H24ClF3N4S MolecularWeight: 456.95527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClF3N4S/c1-3-29(4-2)10-6-5-9-26-20-19(17-8-7-11-30-17)28-18-15(22)12-14(21(23,24)25)13-16(18)27-20/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,27)