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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluoro-anilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluoroanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluoroanilino)-3H-isoindol-1-one Traditional Name: 3-(3-chloro-4-fluoro-anilino)-2-piperonyl-isoindolin-1-one Formula: C22H16ClFN2O3 MolecularWeight: 410.825443

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C22H16ClFN2O3/c23-17-10-14(6-7-18(17)24)25-21-15-3-1-2-4-16(15)22(27)26(21)11-13-5-8-19-20(9-13)29-12-28-19/h1-10,21,25H,11-12H2