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

Systemtic Name: 7-bromanyl-5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C23H20BrN3O3 MolecularWeight: 466.3272

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O3/c1-28-17-8-4-14(5-9-17)23-25-19-10-7-16(24)13-18(19)22(26-27-23)15-6-11-20(29-2)21(12-15)30-3/h4-13,26H,1-3H3