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

Systemtic Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-cyclohexyl-3H-isoindol-1-one Openeye Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-cyclohexyl-isoindolin-1-one CAS Name: 3-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-cyclohexyl-3H-isoindol-1-one IUPAC Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-cyclohexyl-3H-isoindol-1-one Traditional Name: 3-[4-(3-chlorobenzyl)piperazino]-2-cyclohexyl-isoindolin-1-one Formula: C25H30ClN3O MolecularWeight: 423.9782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H30ClN3O/c26-20-8-6-7-19(17-20)18-27-13-15-28(16-14-27)24-22-11-4-5-12-23(22)25(30)29(24)21-9-2-1-3-10-21/h4-8,11-12,17,21,24H,1-3,9-10,13-16,18H2