2-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-5-(5-methyl-2-furanyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C21H16F3N3O3 MolecularWeight: 415.36525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OC(F)(F)F

Isomeric SMILES

CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OC(F)(F)F

InChI

InChI=1S/C21H16F3N3O3/c1-12-3-10-18(29-12)19-16-11-15(30-21(22,23)24)8-9-17(16)25-20(27-26-19)13-4-6-14(28-2)7-5-13/h3-11,26H,1-2H3