2,2-dimethyl-4-(1,2,4-triazol-1-yl)oct-7-en-3-one

Systemtic Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)oct-7-en-3-one Openeye Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)oct-7-en-3-one CAS Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)-7-octen-3-one IUPAC Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)oct-7-en-3-one Traditional Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)oct-7-en-3-one Formula: C12H19N3O MolecularWeight: 221.29876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CCC=C)N1C=NC=N1

Isomeric SMILES

CC(C)(C)C(=O)C(CCC=C)N1C=NC=N1

InChI

InChI=1S/C12H19N3O/c1-5-6-7-10(11(16)12(2,3)4)15-9-13-8-14-15/h5,8-10H,1,6-7H2,2-4H3