2-cyano-3-ethoxy-3-oxidanyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)prop-2-enamide

Systemtic Name: 2-cyano-3-ethoxy-3-oxidanyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)prop-2-enamide Openeye Name: 2-cyano-3-ethoxy-3-hydroxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)prop-2-enamide CAS Name: 2-cyano-3-ethoxy-3-hydroxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-2-propenamide IUPAC Name: 2-cyano-3-ethoxy-3-hydroxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)prop-2-enamide Traditional Name: 2-cyano-3-ethoxy-3-hydroxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acrylamide Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)NC1=NCCCCC1)O

Isomeric SMILES

CCOC(=C(C#N)C(=O)NC1=NCCCCC1)O

InChI

InChI=1S/C12H17N3O3/c1-2-18-12(17)9(8-13)11(16)15-10-6-4-3-5-7-14-10/h17H,2-7H2,1H3,(H,14,15,16)