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

Systemtic Name: 7-bromanyl-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C22H18BrN3O MolecularWeight: 420.30182

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O/c1-14-3-5-16(6-4-14)22-24-20-12-9-17(23)13-19(20)21(25-26-22)15-7-10-18(27-2)11-8-15/h3-13,25H,1-2H3