2-[2-[5-cyano-1-(3-methoxypropyl)-6-oxidanylidene-pyridin-3-yl]carbonyl-4-fluoranyl-phenoxy]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[2-[5-cyano-1-(3-methoxypropyl)-6-oxidanylidene-pyridin-3-yl]carbonyl-4-fluoranyl-phenoxy]-N-cyclopropyl-ethanamide Openeye Name: 2-[2-[5-cyano-1-(3-methoxypropyl)-6-oxo-pyridine-3-carbonyl]-4-fluoro-phenoxy]-N-cyclopropyl-acetamide CAS Name: 2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-fluorophenoxy]-N-cyclopropylacetamide IUPAC Name: 2-[2-[5-cyano-1-(3-methoxypropyl)-6-oxopyridine-3-carbonyl]-4-fluorophenoxy]-N-cyclopropylacetamide Traditional Name: 2-[2-[5-cyano-6-keto-1-(3-methoxypropyl)nicotinoyl]-4-fluoro-phenoxy]-N-cyclopropyl-acetamide Formula: C22H22FN3O5 MolecularWeight: 427.425583

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)F)OCC(=O)NC3CC3

Isomeric SMILES

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)F)OCC(=O)NC3CC3

InChI

InChI=1S/C22H22FN3O5/c1-30-8-2-7-26-12-15(9-14(11-24)22(26)29)21(28)18-10-16(23)3-6-19(18)31-13-20(27)25-17-4-5-17/h3,6,9-10,12,17H,2,4-5,7-8,13H2,1H3,(H,25,27)