N-(1,3-benzodioxol-5-yl)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-oxo-2-(3-pyridylmethyl)isoindoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-oxo-2-(3-pyridinylmethyl)-1H-isoindole-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-keto-2-(3-pyridylmethyl)isoindoline-4-carboxamide Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC(=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=CC=CC(=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N3O4/c26-21(24-16-6-7-18-19(9-16)29-13-28-18)17-5-1-4-15-12-25(22(27)20(15)17)11-14-3-2-8-23-10-14/h1-10H,11-13H2,(H,24,26)