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

Systemtic Name: 2-(4-methoxyphenyl)-5-(4-propoxyphenyl)-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-5-(4-propoxyphenyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-5-(4-propoxyphenyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-5-(4-propoxyphenyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-5-(4-propoxyphenyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C25H22F3N3O3 MolecularWeight: 469.45569

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OC(F)(F)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OC(F)(F)F

InChI

InChI=1S/C25H22F3N3O3/c1-3-14-33-19-10-4-16(5-11-19)23-21-15-20(34-25(26,27)28)12-13-22(21)29-24(31-30-23)17-6-8-18(32-2)9-7-17/h4-13,15,30H,3,14H2,1-2H3