N-[5-bromanyl-2-(4-cyanophenyl)carbonyl-1-benzofuran-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[5-bromanyl-2-(4-cyanophenyl)carbonyl-1-benzofuran-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[5-bromo-2-(4-cyanobenzoyl)benzofuran-3-yl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[5-bromo-2-[(4-cyanophenyl)-oxomethyl]-3-benzofuranyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[5-bromo-2-(4-cyanobenzoyl)-1-benzofuran-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[5-bromo-2-(4-cyanobenzoyl)benzofuran-3-yl]-5-methyl-isoxazole-3-carboxamide Formula: C21H12BrN3O4 MolecularWeight: 450.24168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=C(OC3=C2C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=C(OC3=C2C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H12BrN3O4/c1-11-8-16(25-29-11)21(27)24-18-15-9-14(22)6-7-17(15)28-20(18)19(26)13-4-2-12(10-23)3-5-13/h2-9H,1H3,(H,24,27)