5-butoxy-4-butyl-4-methyl-2-(phenylmethyl)pyrazol-3-one

Systemtic Name: 5-butoxy-4-butyl-4-methyl-2-(phenylmethyl)pyrazol-3-one Openeye Name: 2-benzyl-5-butoxy-4-butyl-4-methyl-pyrazol-3-one CAS Name: 5-butoxy-4-butyl-4-methyl-2-(phenylmethyl)-3-pyrazolone IUPAC Name: 2-benzyl-5-butoxy-4-butyl-4-methylpyrazol-3-one Traditional Name: 2-benzyl-5-butoxy-4-butyl-4-methyl-2-pyrazolin-3-one Formula: C19H28N2O2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=NN(C1=O)CC2=CC=CC=C2)OCCCC)C

Isomeric SMILES

CCCCC1(C(=NN(C1=O)CC2=CC=CC=C2)OCCCC)C

InChI

InChI=1S/C19H28N2O2/c1-4-6-13-19(3)17(23-14-7-5-2)20-21(18(19)22)15-16-11-9-8-10-12-16/h8-12H,4-7,13-15H2,1-3H3