2-cyclohexyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-cyclohexyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 3-(4-benzoylpiperazin-1-yl)-2-cyclohexyl-isoindolin-1-one CAS Name: 3-(4-benzoyl-1-piperazinyl)-2-cyclohexyl-3H-isoindol-1-one IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-2-cyclohexyl-3H-isoindol-1-one Traditional Name: 3-(4-benzoylpiperazino)-2-cyclohexyl-isoindolin-1-one Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H29N3O2/c29-24(19-9-3-1-4-10-19)27-17-15-26(16-18-27)23-21-13-7-8-14-22(21)25(30)28(23)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20,23H,2,5-6,11-12,15-18H2