2-[1-(dimethylamino)propyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-3H-isoindol-1-one

Systemtic Name: 2-[1-(dimethylamino)propyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-3H-isoindol-1-one Openeye Name: 2-[1-(dimethylamino)propyl]-3-[4-(2-pyridyl)piperazin-1-yl]isoindolin-1-one CAS Name: 2-[1-(dimethylamino)propyl]-3-[4-(2-pyridinyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(dimethylamino)propyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-3H-isoindol-1-one Traditional Name: 2-[1-(dimethylamino)propyl]-3-[4-(2-pyridyl)piperazino]isoindolin-1-one Formula: C22H29N5O MolecularWeight: 379.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C(C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=CC=N4)N(C)C

Isomeric SMILES

CCC(N1C(C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=CC=N4)N(C)C

InChI

InChI=1S/C22H29N5O/c1-4-20(24(2)3)27-21(17-9-5-6-10-18(17)22(27)28)26-15-13-25(14-16-26)19-11-7-8-12-23-19/h5-12,20-21H,4,13-16H2,1-3H3