2-phenyl-3-piperidin-4-yl-3-[1-(4-propylphenyl)propyl]isoindol-1-one

Systemtic Name: 2-phenyl-3-piperidin-4-yl-3-[1-(4-propylphenyl)propyl]isoindol-1-one Openeye Name: 2-phenyl-3-(4-piperidyl)-3-[1-(4-propylphenyl)propyl]isoindolin-1-one CAS Name: 2-phenyl-3-(4-piperidinyl)-3-[1-(4-propylphenyl)propyl]-1-isoindolone IUPAC Name: 2-phenyl-3-piperidin-4-yl-3-[1-(4-propylphenyl)propyl]isoindol-1-one Traditional Name: 2-phenyl-3-(4-piperidyl)-3-[1-(4-propylphenyl)propyl]isoindolin-1-one Formula: C31H36N2O MolecularWeight: 452.63034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CC)C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CC)C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C31H36N2O/c1-3-10-23-15-17-24(18-16-23)28(4-2)31(25-19-21-32-22-20-25)29-14-9-8-13-27(29)30(34)33(31)26-11-6-5-7-12-26/h5-9,11-18,25,28,32H,3-4,10,19-22H2,1-2H3