2-[3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-[4-(2-methyl-4-quinolyl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-[4-(2-methyl-4-quinolyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)CC(CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)CC(CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H26N4O3/c1-17-14-23(21-8-4-5-9-22(21)26-17)28-12-10-27(11-13-28)15-18(30)16-29-24(31)19-6-2-3-7-20(19)25(29)32/h2-9,14,18,30H,10-13,15-16H2,1H3