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

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-fluoro-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-tert-butylphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Formula: C28H30FN3O MolecularWeight: 443.555703

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O/c1-5-6-17-33-23-14-9-19(10-15-23)26-24-18-22(29)13-16-25(24)30-27(32-31-26)20-7-11-21(12-8-20)28(2,3)4/h7-16,18,31H,5-6,17H2,1-4H3