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

Systemtic Name: 5-[4-(2-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(2-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(2-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(2-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(2-methylbutylamino)phenyl]-3-pyrazolin-3-one Formula: C14H19N3O MolecularWeight: 245.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CCC(C)CNC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C14H19N3O/c1-3-10(2)9-15-12-6-4-11(5-7-12)13-8-14(18)17-16-13/h4-8,10,15H,3,9H2,1-2H3,(H2,16,17,18)