2-[(1R,3R)-3-(benzotriazol-2-yl)-2-(4-bromophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole

Systemtic Name: 2-[(1R,3R)-3-(benzotriazol-2-yl)-2-(4-bromophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole Openeye Name: 2-[(1R,3R)-3-(benzotriazol-2-yl)-2-(4-bromophenyl)isoindolin-1-yl]benzotriazole CAS Name: 2-[(1R,3R)-3-(2-benzotriazolyl)-2-(4-bromophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole IUPAC Name: 2-[(1R,3R)-3-(benzotriazol-2-yl)-2-(4-bromophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole Traditional Name: 2-[(1R,3R)-3-(benzotriazol-2-yl)-2-(4-bromophenyl)isoindolin-1-yl]benzotriazole Formula: C26H18BrN7 MolecularWeight: 508.37202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C(C2=C1)N3N=C4C=CC=CC4=N3)C5=CC=C(C=C5)Br)N6N=C7C=CC=CC7=N6

Isomeric SMILES

C1=CC=C2[C@H](N([C@@H](C2=C1)N3N=C4C=CC=CC4=N3)C5=CC=C(C=C5)Br)N6N=C7C=CC=CC7=N6

InChI

InChI=1S/C26H18BrN7/c27-17-13-15-18(16-14-17)32-25(33-28-21-9-3-4-10-22(21)29-33)19-7-1-2-8-20(19)26(32)34-30-23-11-5-6-12-24(23)31-34/h1-16,25-26H/t25-,26-/m1/s1