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

Systemtic Name: 5-azanyl-2-[(4-chloranyl-3-propoxy-phenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-chloro-3-propoxy-phenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-chloro-3-propoxyphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-chloro-3-propoxyphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-chloro-3-propoxy-benzyl)-3-pyrazolin-3-one Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)CN2C(=O)C=C(N2)N)Cl

Isomeric SMILES

CCCOC1=C(C=CC(=C1)CN2C(=O)C=C(N2)N)Cl

InChI

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