1-(3,5-dimethylpyrazol-1-yl)-2-(phenylmethyl)pentan-1-one

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)-2-(phenylmethyl)pentan-1-one Openeye Name: 2-benzyl-1-(3,5-dimethylpyrazol-1-yl)pentan-1-one CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-2-(phenylmethyl)-1-pentanone IUPAC Name: 2-benzyl-1-(3,5-dimethylpyrazol-1-yl)pentan-1-one Traditional Name: 2-benzyl-1-(3,5-dimethylpyrazol-1-yl)pentan-1-one Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)C(=O)N2C(=CC(=N2)C)C

Isomeric SMILES

CCCC(CC1=CC=CC=C1)C(=O)N2C(=CC(=N2)C)C

InChI

InChI=1S/C17H22N2O/c1-4-8-16(12-15-9-6-5-7-10-15)17(20)19-14(3)11-13(2)18-19/h5-7,9-11,16H,4,8,12H2,1-3H3