3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one

Systemtic Name: 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one Openeye Name: 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one CAS Name: 3,3-dimethyl-1-(1-phenyl-4-pyrazolyl)-1-butanone IUPAC Name: 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one Traditional Name: 3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one Formula: C15H18N2O MolecularWeight: 242.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O/c1-15(2,3)9-14(18)12-10-16-17(11-12)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3