1-(1,2,4-triazol-4-yl)heptan-2-one

Systemtic Name: 1-(1,2,4-triazol-4-yl)heptan-2-one Openeye Name: 1-(1,2,4-triazol-4-yl)heptan-2-one CAS Name: 1-(1,2,4-triazol-4-yl)-2-heptanone IUPAC Name: 1-(1,2,4-triazol-4-yl)heptan-2-one Traditional Name: 1-(1,2,4-triazol-4-yl)heptan-2-one Formula: C9H15N3O MolecularWeight: 181.2349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CN1C=NN=C1

Isomeric SMILES

CCCCCC(=O)CN1C=NN=C1

InChI

InChI=1S/C9H15N3O/c1-2-3-4-5-9(13)6-12-7-10-11-8-12/h7-8H,2-6H2,1H3