N-(3-chloranyl-4-methoxy-phenyl)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1,3-diketo-2-(4-pyridylmethyl)isoindoline-5-carboxamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4)Cl

InChI

InChI=1S/C22H16ClN3O4/c1-30-19-5-3-15(11-18(19)23)25-20(27)14-2-4-16-17(10-14)22(29)26(21(16)28)12-13-6-8-24-9-7-13/h2-11H,12H2,1H3,(H,25,27)