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

Systemtic Name: 5-azanyl-2-[1-(3-chloranyl-4-methyl-phenoxy)propan-2-yl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[2-(3-chloro-4-methyl-phenoxy)-1-methyl-ethyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[1-(3-chloro-4-methylphenoxy)propan-2-yl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[1-(3-chloro-4-methylphenoxy)propan-2-yl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-[2-(3-chloro-4-methyl-phenoxy)-1-methyl-ethyl]-3-pyrazolin-3-one Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2/c1-8-3-4-10(5-11(8)14)19-7-9(2)17-13(18)6-12(15)16-17/h3-6,9,16H,7,15H2,1-2H3