N-[2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-2,4-dihydrochromen-3-yl]ethanamide

Systemtic Name: N-[2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-2,4-dihydrochromen-3-yl]ethanamide Openeye Name: N-[2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-3-cyano-chroman-3-yl]acetamide CAS Name: N-[2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-3,4-dihydro-2H-1-benzopyran-3-yl]acetamide IUPAC Name: N-[2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-2,4-dihydrochromen-3-yl]acetamide Traditional Name: N-[2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-3-cyano-chroman-3-yl]acetamide Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(C2=CC=CC=C2OC1N)C3=CC(=C(C(=C3)Br)OC)OC)C#N

Isomeric SMILES

CC(=O)NC1(C(C2=CC=CC=C2OC1N)C3=CC(=C(C(=C3)Br)OC)OC)C#N

InChI

InChI=1S/C20H20BrN3O4/c1-11(25)24-20(10-22)17(13-6-4-5-7-15(13)28-19(20)23)12-8-14(21)18(27-3)16(9-12)26-2/h4-9,17,19H,23H2,1-3H3,(H,24,25)