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

Systemtic Name: 7-bromanyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C21H15BrClN3O MolecularWeight: 440.7203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15BrClN3O/c1-27-17-9-4-14(5-10-17)21-24-19-11-6-15(22)12-18(19)20(25-26-21)13-2-7-16(23)8-3-13/h2-12,25H,1H3