5-azanyl-2-[1-(3-chloranyl-4-methyl-phenyl)ethyl]-4-methyl-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[1-(3-chloranyl-4-methyl-phenyl)ethyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[1-(3-chloro-4-methyl-phenyl)ethyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[1-(3-chloro-4-methylphenyl)ethyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[1-(3-chloro-4-methylphenyl)ethyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-[1-(3-chloro-4-methyl-phenyl)ethyl]-4-methyl-3-pyrazolin-3-one Formula: C13H16ClN3O MolecularWeight: 265.73864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)N2C(=O)C(=C(N2)N)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)N2C(=O)C(=C(N2)N)C)Cl

InChI

InChI=1S/C13H16ClN3O/c1-7-4-5-10(6-11(7)14)9(3)17-13(18)8(2)12(15)16-17/h4-6,9,16H,15H2,1-3H3