2-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoranyl-4-methyl-phenyl)amino]-3H-isoindol-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoranyl-4-methyl-phenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoro-4-methyl-anilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoro-4-methylanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoro-4-methylanilino)-3H-isoindol-1-one Traditional Name: 3-(3-fluoro-4-methyl-anilino)-2-piperonyl-isoindolin-1-one Formula: C23H19FN2O3 MolecularWeight: 390.406963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C23H19FN2O3/c1-14-6-8-16(11-19(14)24)25-22-17-4-2-3-5-18(17)23(27)26(22)12-15-7-9-20-21(10-15)29-13-28-20/h2-11,22,25H,12-13H2,1H3