2-[(2,5-dimethoxyphenyl)methyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: 2-[(2,5-dimethoxyphenyl)methyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(3-pyridylmethyl)isoindoline-1-carboxamide CAS Name: 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(3-pyridinylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: 2-[(2,5-dimethoxyphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: 2-(2,5-dimethoxybenzyl)-3-keto-N-(3-pyridylmethyl)isoindoline-1-carboxamide Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C24H23N3O4/c1-30-18-9-10-21(31-2)17(12-18)15-27-22(19-7-3-4-8-20(19)24(27)29)23(28)26-14-16-6-5-11-25-13-16/h3-13,22H,14-15H2,1-2H3,(H,26,28)