1-(benzotriazol-1-yl)-2-ethyl-hexan-1-one

Systemtic Name: 1-(benzotriazol-1-yl)-2-ethyl-hexan-1-one Openeye Name: 1-(benzotriazol-1-yl)-2-ethyl-hexan-1-one CAS Name: 1-(1-benzotriazolyl)-2-ethyl-1-hexanone IUPAC Name: 1-(benzotriazol-1-yl)-2-ethylhexan-1-one Traditional Name: 1-(benzotriazol-1-yl)-2-ethyl-hexan-1-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O/c1-3-5-8-11(4-2)14(18)17-13-10-7-6-9-12(13)15-16-17/h6-7,9-11H,3-5,8H2,1-2H3