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

Systemtic Name: 2-(4-fluorophenyl)-5,6-dimethyl-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: 2-(4-fluorophenyl)-3-[2-(4-isopropylpiperazin-1-yl)-2-oxo-ethyl]-5,6-dimethyl-isoindolin-1-one CAS Name: 2-(4-fluorophenyl)-5,6-dimethyl-3-[2-oxo-2-(4-propan-2-yl-1-piperazinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 2-(4-fluorophenyl)-5,6-dimethyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: 2-(4-fluorophenyl)-3-[2-(4-isopropylpiperazino)-2-keto-ethyl]-5,6-dimethyl-isoindolin-1-one Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3O2/c1-16(2)27-9-11-28(12-10-27)24(30)15-23-21-13-17(3)18(4)14-22(21)25(31)29(23)20-7-5-19(26)6-8-20/h5-8,13-14,16,23H,9-12,15H2,1-4H3