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

Systemtic Name: 7-bromanyl-2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C26H26BrN3O2 MolecularWeight: 492.40754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O2/c1-26(2,3)18-9-6-16(7-10-18)25-28-21-12-11-19(27)15-20(21)24(29-30-25)17-8-13-22(31-4)23(14-17)32-5/h6-15,29H,1-5H3