N-[2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-4H-chromen-7-yl]-2-chloranyl-ethanamide

Systemtic Name: N-[2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-4H-chromen-7-yl]-2-chloranyl-ethanamide Openeye Name: N-[2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-3-cyano-4H-chromen-7-yl]-2-chloro-acetamide CAS Name: N-[2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-1-benzopyran-7-yl]-2-chloroacetamide IUPAC Name: N-[2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-chromen-7-yl]-2-chloroacetamide Traditional Name: N-[2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-3-cyano-4H-chromen-7-yl]-2-chloro-acetamide Formula: C20H17BrClN3O4 MolecularWeight: 478.72368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)NC(=O)CCl)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)NC(=O)CCl)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C20H17BrClN3O4/c1-27-16-6-10(5-14(21)19(16)28-2)18-12-4-3-11(25-17(26)8-22)7-15(12)29-20(24)13(18)9-23/h3-7,18H,8,24H2,1-2H3,(H,25,26)