2-(4-chlorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-chlorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C27H20ClN3O MolecularWeight: 437.9202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20ClN3O/c1-32-23-16-12-19(13-17-23)18-6-8-20(9-7-18)26-24-4-2-3-5-25(24)29-27(31-30-26)21-10-14-22(28)15-11-21/h2-17,30H,1H3