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

Systemtic Name: 4-[7-bromanyl-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepin-5-yl]aniline Openeye Name: 4-[7-bromo-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepin-5-yl]aniline CAS Name: 4-[7-bromo-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepin-5-yl]aniline IUPAC Name: 4-[7-bromo-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepin-5-yl]aniline Traditional Name: [4-[7-bromo-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]amine Formula: C20H14BrClN4 MolecularWeight: 425.70896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)Br)N

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)Br)N

InChI

InChI=1S/C20H14BrClN4/c21-14-5-10-18-17(11-14)19(12-3-8-16(23)9-4-12)25-26-20(24-18)13-1-6-15(22)7-2-13/h1-11,25H,23H2