7a-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4,7-dihydro-3aH-isoindole-1,3-dione hydrochloride

Systemtic Name: 7a-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4,7-dihydro-3aH-isoindole-1,3-dione hydrochloride Openeye Name: 7a-methyl-2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]-4,7-dihydro-3aH-isoindole-1,3-dione hydrochloride CAS Name: 7a-methyl-2-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-4,7-dihydro-3aH-isoindole-1,3-dione hydrochloride IUPAC Name: 7a-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4,7-dihydro-3aH-isoindole-1,3-dione hydrochloride Traditional Name: 7a-methyl-2-[3-[4-(2-pyridyl)piperazino]propyl]-4,7-dihydro-3aH-isoindole-1,3-quinone hydrochloride Formula: C21H29ClN4O2 MolecularWeight: 404.93356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC=CCC1C(=O)N(C2=O)CCCN3CCN(CC3)C4=CC=CC=N4.Cl

Isomeric SMILES

CC12CC=CCC1C(=O)N(C2=O)CCCN3CCN(CC3)C4=CC=CC=N4.Cl

InChI

InChI=1S/C21H28N4O2.ClH/c1-21-9-4-2-7-17(21)19(26)25(20(21)27)12-6-11-23-13-15-24(16-14-23)18-8-3-5-10-22-18;/h2-5,8,10,17H,6-7,9,11-16H2,1H3;1H