2-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]isoindolin-1-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H21N3O2/c1-12(15(20)18-9-7-17(2)8-10-18)19-11-13-5-3-4-6-14(13)16(19)21/h3-6,12H,7-11H2,1-2H3