N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]pyridine-3-carboxamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]pyridine-3-carboxamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]pyridine-3-carboxamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]-3-pyridinecarboxamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]pyridine-3-carboxamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]nicotinamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CN=CC=C3)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CN=CC=C3)/C#N

InChI

InChI=1S/C21H19N5O3/c1-29-11-5-10-24-21(28)17(12-22)18-15-7-2-3-8-16(15)19(25-18)26-20(27)14-6-4-9-23-13-14/h2-4,6-9,13H,5,10-11H2,1H3,(H,24,28)(H,25,26,27)/b18-17-