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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-fluoro-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C26H26FN3O MolecularWeight: 415.502543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O/c1-5-31-21-13-8-17(9-14-21)24-22-16-20(27)12-15-23(22)28-25(30-29-24)18-6-10-19(11-7-18)26(2,3)4/h6-16,29H,5H2,1-4H3