2-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(2-furylmethyl)-N-(3-imidazol-1-ylpropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(2-furanylmethyl)-N-[3-(1-imidazolyl)propyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-(2-furfuryl)-N-(3-imidazol-1-ylpropyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C20H18N4O4/c25-18(22-6-2-8-23-9-7-21-13-23)14-4-5-16-17(11-14)20(27)24(19(16)26)12-15-3-1-10-28-15/h1,3-5,7,9-11,13H,2,6,8,12H2,(H,22,25)