2-[(2S)-3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(4-methylpiperazino)propyl]isoindoline-1,3-quinone Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2C(=O)C3=CC=CC=C3C2=O)O

Isomeric SMILES

CN1CCN(CC1)C[C@@H](CN2C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C16H21N3O3/c1-17-6-8-18(9-7-17)10-12(20)11-19-15(21)13-4-2-3-5-14(13)16(19)22/h2-5,12,20H,6-11H2,1H3/t12-/m0/s1