2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3/c1-7-34-25-16-11-20(17-26(25)35-8-2)27-23-18-22(33-6)14-15-24(23)30-28(32-31-27)19-9-12-21(13-10-19)29(3,4)5/h9-18,31H,7-8H2,1-6H3