2-cyclohexyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-cyclohexyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 6-[4-[(E)-cinnamyl]piperazin-1-yl]-2-cyclohexyl-isoindolin-1-one CAS Name: 2-cyclohexyl-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-cyclohexyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 6-[4-[(E)-cinnamyl]piperazino]-2-cyclohexyl-isoindolin-1-one Formula: C27H33N3O MolecularWeight: 415.57042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H33N3O/c31-27-26-20-25(14-13-23(26)21-30(27)24-11-5-2-6-12-24)29-18-16-28(17-19-29)15-7-10-22-8-3-1-4-9-22/h1,3-4,7-10,13-14,20,24H,2,5-6,11-12,15-19,21H2/b10-7+