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

Systemtic Name: 7-bromanyl-2-(4-methoxyphenyl)-5-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-methoxyphenyl)-5-phenyl-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-methoxyphenyl)-5-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-methoxyphenyl)-5-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-methoxyphenyl)-5-phenyl-4H-1,3,4-benzotriazepine Formula: C21H16BrN3O MolecularWeight: 406.27524

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O/c1-26-17-10-7-15(8-11-17)21-23-19-12-9-16(22)13-18(19)20(24-25-21)14-5-3-2-4-6-14/h2-13,24H,1H3