N-(3,4-dimethoxyphenyl)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-3-oxo-2-(3-pyridylmethyl)isoindoline-4-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-3-oxo-2-(3-pyridinylmethyl)-1H-isoindole-4-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-3-keto-2-(3-pyridylmethyl)isoindoline-4-carboxamide Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)OC

InChI

InChI=1S/C23H21N3O4/c1-29-19-9-8-17(11-20(19)30-2)25-22(27)18-7-3-6-16-14-26(23(28)21(16)18)13-15-5-4-10-24-12-15/h3-12H,13-14H2,1-2H3,(H,25,27)