2-(4-bromophenyl)-5-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine Formula: C21H15BrFN3 MolecularWeight: 408.266303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15BrFN3/c1-13-2-11-19-18(12-13)20(14-5-9-17(23)10-6-14)25-26-21(24-19)15-3-7-16(22)8-4-15/h2-12,25H,1H3