(4S)-4-(benzotriazol-1-yl)octan-2-one

Systemtic Name: (4S)-4-(benzotriazol-1-yl)octan-2-one Openeye Name: (4S)-4-(benzotriazol-1-yl)octan-2-one CAS Name: (4S)-4-(1-benzotriazolyl)-2-octanone IUPAC Name: (4S)-4-(benzotriazol-1-yl)octan-2-one Traditional Name: (4S)-4-(benzotriazol-1-yl)octan-2-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)C)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CCCC[C@@H](CC(=O)C)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H19N3O/c1-3-4-7-12(10-11(2)18)17-14-9-6-5-8-13(14)15-16-17/h5-6,8-9,12H,3-4,7,10H2,1-2H3/t12-/m0/s1