(4S)-2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one CAS Name: (4S)-2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-2-pyrazolin-3-one Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCO)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=O)[C@H]1CCO)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O2/c1-8-11(6-7-16)12(17)15(14-8)10-4-2-9(13)3-5-10/h2-5,11,16H,6-7H2,1H3/t11-/m0/s1