4,4-dimethyl-1-phenyl-pyrazolidin-3-one; 4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one

Systemtic Name: 4,4-dimethyl-1-phenyl-pyrazolidin-3-one; 4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one Openeye Name: 4,4-dimethyl-1-phenyl-pyrazolidin-3-one; 4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one CAS Name: 4,4-dimethyl-1-phenyl-3-pyrazolidinone; 4-(hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone IUPAC Name: 4,4-dimethyl-1-phenylpyrazolidin-3-one; 4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one Traditional Name: 4,4-dimethyl-1-phenyl-pyrazolidin-3-one; 4-methyl-4-methylol-1-phenyl-pyrazolidin-3-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=CC=C2)C.CC1(CN(NC1=O)C2=CC=CC=C2)CO

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=CC=C2)C.CC1(CN(NC1=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C11H14N2O2.C11H14N2O/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9;1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h2-6,14H,7-8H2,1H3,(H,12,15);3-7H,8H2,1-2H3,(H,12,14)