5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepine Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C29H33N3O/c1-6-7-18-33-24-15-11-21(12-16-24)27-25-19-20(2)8-17-26(25)30-28(32-31-27)22-9-13-23(14-10-22)29(3,4)5/h8-17,19,31H,6-7,18H2,1-5H3