3,5,5-trimethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one Openeye Name: 3,5,5-trimethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one CAS Name: 3,5,5-trimethyl-1-(1-phenyl-4-pyrazolyl)-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one Traditional Name: 3,5,5-trimethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one Formula: C18H24N2O MolecularWeight: 284.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CN(N=C1)C2=CC=CC=C2)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)C1=CN(N=C1)C2=CC=CC=C2)CC(C)(C)C

InChI

InChI=1S/C18H24N2O/c1-14(11-18(2,3)4)10-17(21)15-12-19-20(13-15)16-8-6-5-7-9-16/h5-9,12-14H,10-11H2,1-4H3