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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)CN2C(=O)C=C(N2)N)Cl

Isomeric SMILES

CCCC1=C(C=C(C=C1)CN2C(=O)C=C(N2)N)Cl

InChI

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