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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C(CC2=CC=CC=C2)C(C)C)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C(CC2=CC=CC=C2)C(C)C)C

InChI

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