1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(3-bromophenyl)piperidin-2-yl]benzotriazole

Systemtic Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(3-bromophenyl)piperidin-2-yl]benzotriazole Openeye Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(3-bromophenyl)-2-piperidyl]benzotriazole CAS Name: 1-[(2S,6S)-6-(1-benzotriazolyl)-1-(3-bromophenyl)-2-piperidinyl]benzotriazole IUPAC Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(3-bromophenyl)piperidin-2-yl]benzotriazole Traditional Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(3-bromophenyl)-2-piperidyl]benzotriazole Formula: C23H20BrN7 MolecularWeight: 474.3558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(C1)N2C3=CC=CC=C3N=N2)C4=CC(=CC=C4)Br)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1C[C@@H](N([C@H](C1)N2C3=CC=CC=C3N=N2)C4=CC(=CC=C4)Br)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C23H20BrN7/c24-16-7-5-8-17(15-16)29-22(30-20-11-3-1-9-18(20)25-27-30)13-6-14-23(29)31-21-12-4-2-10-19(21)26-28-31/h1-5,7-12,15,22-23H,6,13-14H2/t22-,23-/m0/s1