4-butyl-1-phenyl-pyrazolidine-3,5-dione; hexane-1,6-diamine

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; hexane-1,6-diamine Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; hexane-1,6-diamine CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; hexane-1,6-diamine IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; hexane-1,6-diamine Traditional Name: 6-aminohexylamine; 4-butyl-1-phenyl-pyrazolidine-3,5-quinone Formula: C19H32N4O2 MolecularWeight: 348.48298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C(CCCN)CCN

Isomeric SMILES

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C(CCCN)CCN

InChI

InChI=1S/C13H16N2O2.C6H16N2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;7-5-3-1-2-4-6-8/h4-8,11H,2-3,9H2,1H3,(H,14,16);1-8H2