4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine CAS Name: 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Formula: C22H16F3N3O MolecularWeight: 395.37715

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O/c1-29-17-12-8-15(9-13-17)21-27-19-5-3-2-4-18(19)26-20(28-21)14-6-10-16(11-7-14)22(23,24)25/h2-13H,1H3,(H,26,27,28)