2-(4-tert-butylphenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O2/c1-6-32-22-14-10-19(11-15-22)26-24-18-23(33-7-2)16-17-25(24)29-27(31-30-26)20-8-12-21(13-9-20)28(3,4)5/h8-18,30H,6-7H2,1-5H3