2-[(2S)-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-(piperazine-1-carbonyl)propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-oxo-1-(1-piperazinyl)butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-oxo-1-piperazin-1-ylbutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-(piperazine-1-carbonyl)propyl]isoindoline-1,3-quinone Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCNCC1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC[C@@H](C(=O)N1CCNCC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O3/c1-2-13(16(22)18-9-7-17-8-10-18)19-14(20)11-5-3-4-6-12(11)15(19)21/h3-6,13,17H,2,7-10H2,1H3/t13-/m0/s1