5-butoxy-4,4-dimethyl-2-(phenylmethyl)pyrazol-3-one

Systemtic Name: 5-butoxy-4,4-dimethyl-2-(phenylmethyl)pyrazol-3-one Openeye Name: 2-benzyl-5-butoxy-4,4-dimethyl-pyrazol-3-one CAS Name: 5-butoxy-4,4-dimethyl-2-(phenylmethyl)-3-pyrazolone IUPAC Name: 2-benzyl-5-butoxy-4,4-dimethylpyrazol-3-one Traditional Name: 2-benzyl-5-butoxy-4,4-dimethyl-2-pyrazolin-3-one Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=O)C1(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=NN(C(=O)C1(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2/c1-4-5-11-20-14-16(2,3)15(19)18(17-14)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3