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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O/c31-27-25-16-8-7-15-24(25)26(30(27)23-13-5-2-6-14-23)29-20-18-28(19-21-29)17-9-12-22-10-3-1-4-11-22/h1,3-4,7-12,15-16,23,26H,2,5-6,13-14,17-21H2/b12-9+