N-(4-morpholin-4-ylphenyl)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(4-morpholinophenyl)-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-[4-(4-morpholinyl)phenyl]-1,3-dioxo-2-(pyridin-4-ylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(4-morpholinophenyl)-2-(4-pyridylmethyl)isoindoline-5-carboxamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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