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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H27N3O/c1-5-30-21-16-12-18(13-17-21)24-22-8-6-7-9-23(22)27-25(29-28-24)19-10-14-20(15-11-19)26(2,3)4/h6-17,28H,5H2,1-4H3