6-[4-[2-[bis(phenylmethyl)amino]ethyl]piperazin-1-yl]-2-cyclohexyl-3H-isoindol-1-one

Systemtic Name: 6-[4-[2-[bis(phenylmethyl)amino]ethyl]piperazin-1-yl]-2-cyclohexyl-3H-isoindol-1-one Openeye Name: 2-cyclohexyl-6-[4-[2-(dibenzylamino)ethyl]piperazin-1-yl]isoindolin-1-one CAS Name: 6-[4-[2-[bis(phenylmethyl)amino]ethyl]-1-piperazinyl]-2-cyclohexyl-3H-isoindol-1-one IUPAC Name: 2-cyclohexyl-6-[4-[2-(dibenzylamino)ethyl]piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-cyclohexyl-6-[4-[2-(dibenzylamino)ethyl]piperazino]isoindolin-1-one Formula: C34H42N4O MolecularWeight: 522.72348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCN(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCN(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C34H42N4O/c39-34-33-24-32(17-16-30(33)27-38(34)31-14-8-3-9-15-31)37-22-20-35(21-23-37)18-19-36(25-28-10-4-1-5-11-28)26-29-12-6-2-7-13-29/h1-2,4-7,10-13,16-17,24,31H,3,8-9,14-15,18-23,25-27H2