N-[3-(1-cyano-2-oxidanylidene-2-piperidin-1-yl-ethylidene)isoindol-1-yl]-4-methoxy-benzamide

Systemtic Name: N-[3-(1-cyano-2-oxidanylidene-2-piperidin-1-yl-ethylidene)isoindol-1-yl]-4-methoxy-benzamide Openeye Name: N-[3-[1-cyano-2-oxo-2-(1-piperidyl)ethylidene]isoindol-1-yl]-4-methoxy-benzamide CAS Name: N-[3-[1-cyano-2-oxo-2-(1-piperidinyl)ethylidene]-1-isoindolyl]-4-methoxybenzamide IUPAC Name: N-[3-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)isoindol-1-yl]-4-methoxybenzamide Traditional Name: N-[3-(1-cyano-2-keto-2-piperidino-ethylidene)isoindol-1-yl]-4-methoxy-benzamide Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C42

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C42

InChI

InChI=1S/C24H22N4O3/c1-31-17-11-9-16(10-12-17)23(29)27-22-19-8-4-3-7-18(19)21(26-22)20(15-25)24(30)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,27,29)