(E)-2,2,6,6-tetramethyl-4-(1,2,4-triazol-1-yl)hept-4-en-3-one

Systemtic Name: (E)-2,2,6,6-tetramethyl-4-(1,2,4-triazol-1-yl)hept-4-en-3-one Openeye Name: (E)-2,2,6,6-tetramethyl-4-(1,2,4-triazol-1-yl)hept-4-en-3-one CAS Name: (E)-2,2,6,6-tetramethyl-4-(1,2,4-triazol-1-yl)-4-hepten-3-one IUPAC Name: (E)-2,2,6,6-tetramethyl-4-(1,2,4-triazol-1-yl)hept-4-en-3-one Traditional Name: (E)-2,2,6,6-tetramethyl-4-(1,2,4-triazol-1-yl)hept-4-en-3-one Formula: C13H21N3O MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)/C=C(\C(=O)C(C)(C)C)/N1C=NC=N1

InChI

InChI=1S/C13H21N3O/c1-12(2,3)7-10(11(17)13(4,5)6)16-9-14-8-15-16/h7-9H,1-6H3/b10-7+