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

Systemtic Name: 5-[4-(hexan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(1-methylpentylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(hexan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(hexan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(1-methylpentylamino)phenyl]-3-pyrazolin-3-one Formula: C15H21N3O MolecularWeight: 259.34674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CCCCC(C)NC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C15H21N3O/c1-3-4-5-11(2)16-13-8-6-12(7-9-13)14-10-15(19)18-17-14/h6-11,16H,3-5H2,1-2H3,(H2,17,18,19)