3-[[3-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 3-[[3-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-[(4-fluorophenyl)methyl]isoindolin-1-one CAS Name: 3-[3-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-fluorobenzyl)isoindolin-1-one Formula: C28H29FN4O2 MolecularWeight: 472.553863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H29FN4O2/c1-2-31-14-16-32(17-15-31)27(34)21-6-5-7-23(18-21)30-26-24-8-3-4-9-25(24)28(35)33(26)19-20-10-12-22(29)13-11-20/h3-13,18,26,30H,2,14-17,19H2,1H3