7-bromanyl-5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine Formula: C22H17BrFN3O2 MolecularWeight: 454.291683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)Br)OC

InChI

InChI=1S/C22H17BrFN3O2/c1-28-19-10-5-14(11-20(19)29-2)21-17-12-15(23)6-9-18(17)25-22(27-26-21)13-3-7-16(24)8-4-13/h3-12,26H,1-2H3