5-bromanyl-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]coumarilamide Formula: C21H18BrN3O2 MolecularWeight: 424.29052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN3O2/c1-14-18-11-16(22)7-8-19(18)27-20(14)21(26)23-10-9-15-12-24-25(13-15)17-5-3-2-4-6-17/h2-8,11-13H,9-10H2,1H3,(H,23,26)