2-cyclohexyl-5-(4-ethanoylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-(4-ethanoylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-acetylpiperazine-1-carbonyl)-2-cyclohexyl-isoindoline-1,3-dione CAS Name: 5-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-cyclohexylisoindole-1,3-dione IUPAC Name: 5-(4-acetylpiperazine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione Traditional Name: 5-(4-acetylpiperazine-1-carbonyl)-2-cyclohexyl-isoindoline-1,3-quinone Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C21H25N3O4/c1-14(25)22-9-11-23(12-10-22)19(26)15-7-8-17-18(13-15)21(28)24(20(17)27)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12H2,1H3