7-bromanyl-2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-phenyl-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-phenyl-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C21H16BrN3 MolecularWeight: 390.27584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H16BrN3/c1-14-7-9-16(10-8-14)21-23-19-12-11-17(22)13-18(19)20(24-25-21)15-5-3-2-4-6-15/h2-13,24H,1H3