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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H31N3O3/c1-7-34-21-13-14-23-22(17-21)26(19-10-15-24(32-5)25(16-19)33-6)30-31-27(29-23)18-8-11-20(12-9-18)28(2,3)4/h8-17,30H,7H2,1-6H3