4-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-8-(trifluoromethyloxy)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-8-(trifluoromethyloxy)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-methoxyphenyl)-2-(5-methyl-2-furyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-methoxyphenyl)-2-(5-methyl-2-furanyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-methoxyphenyl)-2-(5-methyl-2-furyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Formula: C21H16F3N3O3 MolecularWeight: 415.36525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC3=C(N2)C=C(C=C3)OC(F)(F)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC3=C(N2)C=C(C=C3)OC(F)(F)F)C4=CC=C(C=C4)OC

InChI

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