2-[2-(2-azanyl-3-cyano-5-ethanoyl-6-methyl-4H-pyran-4-yl)-4-bromanyl-phenoxy]-N-phenethyl-ethanamide

Systemtic Name: 2-[2-(2-azanyl-3-cyano-5-ethanoyl-6-methyl-4H-pyran-4-yl)-4-bromanyl-phenoxy]-N-phenethyl-ethanamide Openeye Name: 2-[2-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)-4-bromo-phenoxy]-N-phenethyl-acetamide CAS Name: 2-[2-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)-4-bromophenoxy]-N-phenethylacetamide IUPAC Name: 2-[2-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)-4-bromophenoxy]-N-phenethylacetamide Traditional Name: 2-[2-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)-4-bromo-phenoxy]-N-phenethyl-acetamide Formula: C25H24BrN3O4 MolecularWeight: 510.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)Br)OCC(=O)NCCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)Br)OCC(=O)NCCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C25H24BrN3O4/c1-15(30)23-16(2)33-25(28)20(13-27)24(23)19-12-18(26)8-9-21(19)32-14-22(31)29-11-10-17-6-4-3-5-7-17/h3-9,12,24H,10-11,14,28H2,1-2H3,(H,29,31)