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

Systemtic Name: 5-bromanyl-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-(4-pivaloylpiperazino)phenyl]nicotinamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c1-21(2,3)20(28)26-10-8-25(9-11-26)18-6-4-17(5-7-18)24-19(27)15-12-16(22)14-23-13-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)