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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c1-26(2,3)19-13-10-17(11-14-19)25-27-21-9-7-6-8-20(21)24(28-29-25)18-12-15-22(30-4)23(16-18)31-5/h6-16,28H,1-5H3