2-(4-bromophenyl)-7-chloranyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-chloranyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-chloro-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-chloro-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-chloro-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-chloro-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C27H19BrClN3O MolecularWeight: 516.81626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=C(C=C5)Br)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=C(C=C5)Br)Cl

InChI

InChI=1S/C27H19BrClN3O/c1-33-23-13-8-18(9-14-23)17-2-4-19(5-3-17)26-24-16-22(29)12-15-25(24)30-27(32-31-26)20-6-10-21(28)11-7-20/h2-16,31H,1H3