2-[2-(3-methoxyphenyl)ethyl]-4-[3-(2-pyridin-3-ylpiperidin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[3-(2-pyridin-3-ylpiperidin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[3-[2-(3-pyridyl)piperidine-1-carbonyl]-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[3-[oxo-[2-(3-pyridinyl)-1-piperidinyl]methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[3-(2-pyridin-3-ylpiperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[3-[2-(3-pyridyl)piperidine-1-carbonyl]piperidino]isoindoline-1,3-quinone Formula: C33H36N4O4 MolecularWeight: 552.66334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCCC(C4)C(=O)N5CCCCC5C6=CN=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCCC(C4)C(=O)N5CCCCC5C6=CN=CC=C6

InChI

InChI=1S/C33H36N4O4/c1-41-26-11-4-8-23(20-26)15-19-37-32(39)27-12-5-14-29(30(27)33(37)40)35-17-7-10-25(22-35)31(38)36-18-3-2-13-28(36)24-9-6-16-34-21-24/h4-6,8-9,11-12,14,16,20-21,25,28H,2-3,7,10,13,15,17-19,22H2,1H3