5-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide CAS Name: 5-bromo-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-2-furamide Formula: C20H23BrClN3O3 MolecularWeight: 468.77192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)Cl

InChI

InChI=1S/C20H23BrClN3O3/c1-13(2)11-19(26)25-9-7-24(8-10-25)16-4-3-14(12-15(16)22)23-20(27)17-5-6-18(21)28-17/h3-6,12-13H,7-11H2,1-2H3,(H,23,27)