5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one CAS Name: 5-methyl-2-phenyl-1-(trideuteriomethyl)-3-pyrazolone IUPAC Name: 5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-1-(trideuteriomethyl)-3-pyrazolin-3-one Formula: C11H12N2O MolecularWeight: 191.244265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2

Isomeric SMILES

[2H]C([2H])([2H])N1C(=CC(=O)N1C2=CC=CC=C2)C

InChI

InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3/i2D3