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

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepine Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H31N3O/c1-5-6-19-32-23-17-13-20(14-18-23)26-24-9-7-8-10-25(24)29-27(31-30-26)21-11-15-22(16-12-21)28(2,3)4/h7-18,30H,5-6,19H2,1-4H3