(4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-heptan-2-one

Systemtic Name: (4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-heptan-2-one Openeye Name: (4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-heptan-2-one CAS Name: (4S)-1-(1-benzotriazolyl)-4,6,6-trimethyl-2-heptanone IUPAC Name: (4S)-1-(benzotriazol-1-yl)-4,6,6-trimethylheptan-2-one Traditional Name: (4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-heptan-2-one Formula: C16H23N3O MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CN1C2=CC=CC=C2N=N1)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O/c1-12(10-16(2,3)4)9-13(20)11-19-15-8-6-5-7-14(15)17-18-19/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1