5-chloranyl-4-methyl-2-phenethyl-1H-pyrazol-3-one

Systemtic Name: 5-chloranyl-4-methyl-2-phenethyl-1H-pyrazol-3-one Openeye Name: 5-chloro-4-methyl-2-phenethyl-1H-pyrazol-3-one CAS Name: 5-chloro-4-methyl-2-phenethyl-1H-pyrazol-3-one IUPAC Name: 5-chloro-4-methyl-2-phenethyl-1H-pyrazol-3-one Traditional Name: 5-chloro-4-methyl-2-phenethyl-3-pyrazolin-3-one Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CCC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(NN(C1=O)CCC2=CC=CC=C2)Cl

InChI

InChI=1S/C12H13ClN2O/c1-9-11(13)14-15(12(9)16)8-7-10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3