4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-fluorophenyl)-2-(p-tolyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-fluorophenyl)-2-(p-tolyl)-1H-1,3,5-benzotriazepine Formula: C21H16FN3 MolecularWeight: 329.370243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C3N2)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C3N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3/c1-14-6-8-15(9-7-14)20-23-18-4-2-3-5-19(18)24-21(25-20)16-10-12-17(22)13-11-16/h2-13H,1H3,(H,23,24,25)