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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Formula: C30H35N3O3 MolecularWeight: 485.6172

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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)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3/c1-7-34-23-15-16-25-24(19-23)28(21-12-17-26(35-8-2)27(18-21)36-9-3)32-33-29(31-25)20-10-13-22(14-11-20)30(4,5)6/h10-19,32H,7-9H2,1-6H3