8-fluoranyl-4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 8-fluoranyl-4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-4-(4-methoxyphenyl)-2-(p-tolyl)-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-4-(4-methoxyphenyl)-2-(p-tolyl)-1H-1,3,5-benzotriazepine Formula: C22H18FN3O MolecularWeight: 359.396223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=C(C=C4)OC

InChI

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