(2R,4R)-2,4-bis(benzotriazol-1-yl)pentan-3-one

Systemtic Name: (2R,4R)-2,4-bis(benzotriazol-1-yl)pentan-3-one Openeye Name: (2R,4R)-2,4-bis(benzotriazol-1-yl)pentan-3-one CAS Name: (2R,4R)-2,4-bis(1-benzotriazolyl)-3-pentanone IUPAC Name: (2R,4R)-2,4-bis(benzotriazol-1-yl)pentan-3-one Traditional Name: (2R,4R)-2,4-bis(benzotriazol-1-yl)pentan-3-one Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C)N1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@H](C(=O)[C@@H](C)N1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H16N6O/c1-11(22-15-9-5-3-7-13(15)18-20-22)17(24)12(2)23-16-10-6-4-8-14(16)19-21-23/h3-12H,1-2H3/t11-,12-/m1/s1