2-cyano-3-(4-methoxyphenyl)-N-[4-(3-oxidanyl-1-adamantyl)phenyl]prop-2-enamide

Systemtic Name: 2-cyano-3-(4-methoxyphenyl)-N-[4-(3-oxidanyl-1-adamantyl)phenyl]prop-2-enamide Openeye Name: 2-cyano-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: 2-cyano-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: 2-cyano-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: 2-cyano-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-(4-methoxyphenyl)acrylamide Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C27H28N2O3/c1-32-24-8-2-18(3-9-24)11-21(16-28)25(30)29-23-6-4-22(5-7-23)26-12-19-10-20(13-26)15-27(31,14-19)17-26/h2-9,11,19-20,31H,10,12-15,17H2,1H3,(H,29,30)