N-methyl-N-[[2-(trifluoromethyl)benzo[b][1]benzoxepin-6-yl]methyl]prop-2-yn-1-amine

Systemtic Name: N-methyl-N-[[2-(trifluoromethyl)benzo[b][1]benzoxepin-6-yl]methyl]prop-2-yn-1-amine Openeye Name: N-methyl-N-[[2-(trifluoromethyl)benzo[b][1]benzoxepin-6-yl]methyl]prop-2-yn-1-amine CAS Name: N-methyl-N-[[2-(trifluoromethyl)-6-benzo[b][1]benzoxepinyl]methyl]-2-propyn-1-amine IUPAC Name: N-methyl-N-[[2-(trifluoromethyl)benzo[b][1]benzoxepin-6-yl]methyl]prop-2-yn-1-amine Traditional Name: methyl-propargyl-[[2-(trifluoromethyl)benzo[b][1]benzoxepin-6-yl]methyl]amine Formula: C20H16F3NO MolecularWeight: 343.34235

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)CC1=CC2=C(C=C(C=C2)C(F)(F)F)OC3=CC=CC=C31

Isomeric SMILES

CN(CC#C)CC1=CC2=C(C=C(C=C2)C(F)(F)F)OC3=CC=CC=C31

InChI

InChI=1S/C20H16F3NO/c1-3-10-24(2)13-15-11-14-8-9-16(20(21,22)23)12-19(14)25-18-7-5-4-6-17(15)18/h1,4-9,11-12H,10,13H2,2H3