2-(3-fluorophenyl)-5,6-dimethyl-3-[2-oxidanylidene-2-(4-prop-2-ynylpiperazin-1-yl)ethyl]-3H-isoindol-1-one

Systemtic Name: 2-(3-fluorophenyl)-5,6-dimethyl-3-[2-oxidanylidene-2-(4-prop-2-ynylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: 2-(3-fluorophenyl)-5,6-dimethyl-3-[2-oxo-2-(4-prop-2-ynylpiperazin-1-yl)ethyl]isoindolin-1-one CAS Name: 2-(3-fluorophenyl)-5,6-dimethyl-3-[2-oxo-2-(4-prop-2-ynyl-1-piperazinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 2-(3-fluorophenyl)-5,6-dimethyl-3-[2-oxo-2-(4-prop-2-ynylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: 2-(3-fluorophenyl)-3-[2-keto-2-(4-propargylpiperazino)ethyl]-5,6-dimethyl-isoindolin-1-one Formula: C25H26FN3O2 MolecularWeight: 419.491243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CC(=CC=C3)F)CC(=O)N4CCN(CC4)CC#C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CC(=CC=C3)F)CC(=O)N4CCN(CC4)CC#C)C

InChI

InChI=1S/C25H26FN3O2/c1-4-8-27-9-11-28(12-10-27)24(30)16-23-21-13-17(2)18(3)14-22(21)25(31)29(23)20-7-5-6-19(26)15-20/h1,5-7,13-15,23H,8-12,16H2,2-3H3