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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-4-methoxy-phenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methoxy-anilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methoxyanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methoxyanilino)-3H-isoindol-1-one Traditional Name: 3-(3-chloro-4-methoxy-anilino)-2-piperonyl-isoindolin-1-one Formula: C23H19ClN2O4 MolecularWeight: 422.86096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C23H19ClN2O4/c1-28-19-9-7-15(11-18(19)24)25-22-16-4-2-3-5-17(16)23(27)26(22)12-14-6-8-20-21(10-14)30-13-29-20/h2-11,22,25H,12-13H2,1H3