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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-fluoranyl-4-phenyl-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-phenyl-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-phenyl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-phenyl-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-phenyl-1H-1,3,5-benzotriazepine Formula: C22H18FN3O2 MolecularWeight: 375.395623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H18FN3O2/c1-27-19-11-8-15(12-20(19)28-2)22-25-18-13-16(23)9-10-17(18)24-21(26-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,25,26)