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

Systemtic Name: 5-azanyl-2-[(3-chloranyl-4-methyl-phenyl)methyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(3-chloro-4-methyl-phenyl)methyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[(3-chloro-4-methylphenyl)methyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(3-chloro-4-methylphenyl)methyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3-chloro-4-methyl-benzyl)-4-methyl-3-pyrazolin-3-one Formula: C12H14ClN3O MolecularWeight: 251.71206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O/c1-7-3-4-9(5-10(7)13)6-16-12(17)8(2)11(14)15-16/h3-5,15H,6,14H2,1-2H3