N-(5-methyl-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(5-methyl-2-oxidanyl-phenyl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(2-hydroxy-5-methyl-phenyl)-1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Traditional Name: N-(2-hydroxy-5-methyl-phenyl)-1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H17N3O4/c1-13-4-7-19(26)18(9-13)24-20(27)15-5-6-16-17(10-15)22(29)25(21(16)28)12-14-3-2-8-23-11-14/h2-11,26H,12H2,1H3,(H,24,27)