2-butylisoindole-1,3-dione; 3-piperidin-4-yl-1H-benzimidazol-2-one

Systemtic Name: 2-butylisoindole-1,3-dione; 3-piperidin-4-yl-1H-benzimidazol-2-one Openeye Name: 2-butylisoindoline-1,3-dione; 3-(4-piperidyl)-1H-benzimidazol-2-one CAS Name: 2-butylisoindole-1,3-dione; 3-(4-piperidinyl)-1H-benzimidazol-2-one IUPAC Name: 2-butylisoindole-1,3-dione; 3-piperidin-4-yl-1H-benzimidazol-2-one Traditional Name: 2-butylisoindoline-1,3-quinone; 3-(4-piperidyl)-1H-benzimidazol-2-one Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C1=O.C1CNCCC1N2C3=CC=CC=C3NC2=O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C1=O.C1CNCCC1N2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C12H15N3O.C12H13NO2/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9;1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h1-4,9,13H,5-8H2,(H,14,16);4-7H,2-3,8H2,1H3