4-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine CAS Name: 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Formula: C22H18FN3O MolecularWeight: 359.396223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O/c1-14-3-12-19-20(13-14)25-22(16-6-10-18(27-2)11-7-16)26-21(24-19)15-4-8-17(23)9-5-15/h3-13H,1-2H3,(H,24,25,26)