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

Systemtic Name: 3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-(3-fluorophenyl)-5,6-dimethyl-3H-isoindol-1-one Openeye Name: 3-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-(3-fluorophenyl)-5,6-dimethyl-isoindolin-1-one CAS Name: 3-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-(3-fluorophenyl)-5,6-dimethyl-3H-isoindol-1-one IUPAC Name: 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)-5,6-dimethyl-3H-isoindol-1-one Traditional Name: 3-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-(3-fluorophenyl)-5,6-dimethyl-isoindolin-1-one Formula: C24H26FN3O3 MolecularWeight: 423.479943

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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)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN3O3/c1-15-11-20-21(12-16(15)2)24(31)28(19-6-4-5-18(25)13-19)22(20)14-23(30)27-9-7-26(8-10-27)17(3)29/h4-6,11-13,22H,7-10,14H2,1-3H3