(3R)-3-(benzotriazol-1-ylmethyl)heptan-4-one

Systemtic Name: (3R)-3-(benzotriazol-1-ylmethyl)heptan-4-one Openeye Name: (3R)-3-(benzotriazol-1-ylmethyl)heptan-4-one CAS Name: (3R)-3-(1-benzotriazolylmethyl)-4-heptanone IUPAC Name: (3R)-3-(benzotriazol-1-ylmethyl)heptan-4-one Traditional Name: (3R)-3-(benzotriazol-1-ylmethyl)heptan-4-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O/c1-3-7-14(18)11(4-2)10-17-13-9-6-5-8-12(13)15-16-17/h5-6,8-9,11H,3-4,7,10H2,1-2H3/t11-/m1/s1