N-(6-morpholin-4-ylpyridin-3-yl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(6-morpholin-4-ylpyridin-3-yl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-(6-morpholino-3-pyridyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[6-(4-morpholinyl)-3-pyridinyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-(6-morpholin-4-ylpyridin-3-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-1,3-diketo-N-(6-morpholino-3-pyridyl)isoindoline-5-carboxamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O4/c30-23(27-19-7-9-22(26-15-19)28-10-12-33-13-11-28)18-6-8-20-21(14-18)25(32)29(24(20)31)16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,27,30)