3-(1,3-benzodioxol-5-ylamino)-2-(phenylmethyl)-3H-isoindol-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-2-(phenylmethyl)-3H-isoindol-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-2-benzyl-isoindolin-1-one CAS Name: 3-(1,3-benzodioxol-5-ylamino)-2-(phenylmethyl)-3H-isoindol-1-one IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-2-benzyl-3H-isoindol-1-one Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-2-benzyl-isoindolin-1-one Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C22H18N2O3/c25-22-18-9-5-4-8-17(18)21(24(22)13-15-6-2-1-3-7-15)23-16-10-11-19-20(12-16)27-14-26-19/h1-12,21,23H,13-14H2