(Z)-3-[5-chloranyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(pyridin-4-ylmethyl)prop-2-enamide

Systemtic Name: (Z)-3-[5-chloranyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(pyridin-4-ylmethyl)prop-2-enamide Openeye Name: (Z)-3-(5-chloro-2-isopentyloxy-phenyl)-2-cyano-N-(4-pyridylmethyl)prop-2-enamide CAS Name: (Z)-3-[5-chloro-2-(3-methylbutoxy)phenyl]-2-cyano-N-(pyridin-4-ylmethyl)-2-propenamide IUPAC Name: (Z)-3-[5-chloro-2-(3-methylbutoxy)phenyl]-2-cyano-N-(pyridin-4-ylmethyl)prop-2-enamide Traditional Name: (Z)-3-(5-chloro-2-isoamoxy-phenyl)-2-cyano-N-(4-pyridylmethyl)acrylamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Cl)C=C(C#N)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Cl)/C=C(/C#N)\C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C21H22ClN3O2/c1-15(2)7-10-27-20-4-3-19(22)12-17(20)11-18(13-23)21(26)25-14-16-5-8-24-9-6-16/h3-6,8-9,11-12,15H,7,10,14H2,1-2H3,(H,25,26)/b18-11-