4-[7-bromanyl-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[7-bromanyl-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[7-bromo-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-bromo-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[7-bromo-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[7-bromo-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C22H18BrFN4 MolecularWeight: 437.307523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrFN4/c1-28(2)18-10-5-14(6-11-18)21-19-13-16(23)7-12-20(19)25-22(27-26-21)15-3-8-17(24)9-4-15/h3-13,26H,1-2H3