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

Systemtic Name: 5-azanyl-2-[(3-chloranyl-5-methyl-phenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(3-chloro-5-methyl-phenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(3-chloro-5-methylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(3-chloro-5-methylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3-chloro-5-methyl-benzyl)-3-pyrazolin-3-one Formula: C11H12ClN3O MolecularWeight: 237.68548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Cl)CN2C(=O)C=C(N2)N

Isomeric SMILES

CC1=CC(=CC(=C1)Cl)CN2C(=O)C=C(N2)N

InChI

InChI=1S/C11H12ClN3O/c1-7-2-8(4-9(12)3-7)6-15-11(16)5-10(13)14-15/h2-5,14H,6,13H2,1H3