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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)C(F)(F)F

InChI

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