5-bromanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-(4-isobutyrylpiperazino)phenyl]nicotinamide Formula: C20H23BrN4O2 MolecularWeight: 431.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O2/c1-14(2)20(27)25-9-7-24(8-10-25)18-5-3-17(4-6-18)23-19(26)15-11-16(21)13-22-12-15/h3-6,11-14H,7-10H2,1-2H3,(H,23,26)