5-[4-[4-(2-oxidanylbutylamino)piperidin-1-yl]phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-[4-(2-oxidanylbutylamino)piperidin-1-yl]phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-[4-(2-hydroxybutylamino)-1-piperidyl]phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-[4-(2-hydroxybutylamino)-1-piperidinyl]phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-[4-(2-hydroxybutylamino)piperidin-1-yl]phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-[4-(2-hydroxybutylamino)piperidino]phenyl]-3-pyrazolin-3-one Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)NN3)O

Isomeric SMILES

CCC(CNC1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)NN3)O

InChI

InChI=1S/C18H26N4O2/c1-2-16(23)12-19-14-7-9-22(10-8-14)15-5-3-13(4-6-15)17-11-18(24)21-20-17/h3-6,11,14,16,19,23H,2,7-10,12H2,1H3,(H2,20,21,24)