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

Systemtic Name: 4-(4-azanylbutyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-(4-aminobutyl)-5-(4-pyridyl)-1,2-dihydropyrazol-3-one CAS Name: 4-(4-aminobutyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-(4-aminobutyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-aminobutyl)-5-(4-pyridyl)-3-pyrazolin-3-one Formula: C12H16N4O MolecularWeight: 232.28164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=C(C(=O)NN2)CCCCN

Isomeric SMILES

C1=CN=CC=C1C2=C(C(=O)NN2)CCCCN

InChI

InChI=1S/C12H16N4O/c13-6-2-1-3-10-11(15-16-12(10)17)9-4-7-14-8-5-9/h4-5,7-8H,1-3,6,13H2,(H2,15,16,17)