5-(butylamino)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-(butylamino)-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-(butylamino)-2-phenyl-4H-pyrazol-3-one CAS Name: 5-(butylamino)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-(butylamino)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-(butylamino)-2-phenyl-2-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN(C(=O)C1)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=NN(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3O/c1-2-3-9-14-12-10-13(17)16(15-12)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,14,15)