4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-fluoranyl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-fluoranyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine CAS Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-fluoro-1H-1,3,5-benzotriazepine Formula: C26H26FN3O2 MolecularWeight: 431.501943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H26FN3O2/c1-26(2,3)18-9-6-16(7-10-18)24-28-20-12-11-19(27)15-21(20)29-25(30-24)17-8-13-22(31-4)23(14-17)32-5/h6-15H,1-5H3,(H,28,29,30)