5-[4-(butylamino)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-(butylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(butylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(butylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(butylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(butylamino)phenyl]-3-pyrazolin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

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