4-(4-azanylbutyl)-5-phenyl-1,2-dihydropyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c14-9-5-4-8-11-12(15-16-13(11)17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,14H2,(H2,15,16,17)