4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-one

Systemtic Name: 4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-one Openeye Name: 4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-one CAS Name: 4-methyl-1-(1-phenyl-4-pyrazolyl)-1-pentanone IUPAC Name: 4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-one Traditional Name: 4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-one Formula: C15H18N2O MolecularWeight: 242.31622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O/c1-12(2)8-9-15(18)13-10-16-17(11-13)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3