1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(4-chlorophenyl)piperidin-2-yl]benzotriazole

Systemtic Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(4-chlorophenyl)piperidin-2-yl]benzotriazole Openeye Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(4-chlorophenyl)-2-piperidyl]benzotriazole CAS Name: 1-[(2S,6S)-6-(1-benzotriazolyl)-1-(4-chlorophenyl)-2-piperidinyl]benzotriazole IUPAC Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(4-chlorophenyl)piperidin-2-yl]benzotriazole Traditional Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(4-chlorophenyl)-2-piperidyl]benzotriazole Formula: C23H20ClN7 MolecularWeight: 429.9048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN7/c24-16-12-14-17(15-13-16)29-22(30-20-8-3-1-6-18(20)25-27-30)10-5-11-23(29)31-21-9-4-2-7-19(21)26-28-31/h1-4,6-9,12-15,22-23H,5,10-11H2/t22-,23-/m0/s1