N-[[3-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)quinoxalin-2-yl]methyl]-N-prop-2-ynyl-aniline

Systemtic Name: N-[[3-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)quinoxalin-2-yl]methyl]-N-prop-2-ynyl-aniline Openeye Name: N-[[3-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)quinoxalin-2-yl]methyl]-N-prop-2-ynyl-aniline CAS Name: N-[[3-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-2-quinoxalinyl]methyl]-N-prop-2-ynylaniline IUPAC Name: N-[[3-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)quinoxalin-2-yl]methyl]-N-prop-2-ynylaniline Traditional Name: [3-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)quinoxalin-2-yl]methyl-phenyl-propargyl-amine Formula: C27H22F3N3O2 MolecularWeight: 477.47769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2CN(CC#C)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2CN(CC#C)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H22F3N3O2/c1-4-14-33(20-8-6-5-7-9-20)17-23-26(18-10-13-24(34-2)25(15-18)35-3)32-21-12-11-19(27(28,29)30)16-22(21)31-23/h1,5-13,15-16H,14,17H2,2-3H3