(2R,4R)-1,5-bis(benzotriazol-1-yl)-2,4-dimethyl-pentan-3-one

Systemtic Name: (2R,4R)-1,5-bis(benzotriazol-1-yl)-2,4-dimethyl-pentan-3-one Openeye Name: (2R,4R)-1,5-bis(benzotriazol-1-yl)-2,4-dimethyl-pentan-3-one CAS Name: (2R,4R)-1,5-bis(1-benzotriazolyl)-2,4-dimethyl-3-pentanone IUPAC Name: (2R,4R)-1,5-bis(benzotriazol-1-yl)-2,4-dimethylpentan-3-one Traditional Name: (2R,4R)-1,5-bis(benzotriazol-1-yl)-2,4-dimethyl-pentan-3-one Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2N=N1)C(=O)C(C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@H](CN1C2=CC=CC=C2N=N1)C(=O)[C@H](C)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N6O/c1-13(11-24-17-9-5-3-7-15(17)20-22-24)19(26)14(2)12-25-18-10-6-4-8-16(18)21-23-25/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1