2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-hydroxyethyl)piperazino]-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCO)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCO)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H21N3O4/c1-12(15(22)19-8-6-18(7-9-19)10-11-21)20-16(23)13-4-2-3-5-14(13)17(20)24/h2-5,12,21H,6-11H2,1H3