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

Systemtic Name: 2-(4-fluorophenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: 2-(4-fluorophenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-(4-fluorophenyl)-5,6-dimethyl-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 2-(4-fluorophenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one Traditional Name: 2-(4-fluorophenyl)-3-[2-keto-2-(4-methylpiperazino)ethyl]-5,6-dimethyl-isoindolin-1-one Formula: C23H26FN3O2 MolecularWeight: 395.469843

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O2/c1-15-12-19-20(13-16(15)2)23(29)27(18-6-4-17(24)5-7-18)21(19)14-22(28)26-10-8-25(3)9-11-26/h4-7,12-13,21H,8-11,14H2,1-3H3