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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(C)N1N=C2C=CC=CC2=N1

Isomeric SMILES

CCCCC(=O)C[C@H](C)N1N=C2C=CC=CC2=N1

InChI

InChI=1S/C14H19N3O/c1-3-4-7-12(18)10-11(2)17-15-13-8-5-6-9-14(13)16-17/h5-6,8-9,11H,3-4,7,10H2,1-2H3/t11-/m0/s1