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

Systemtic Name: 5-bromanyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-(4-isovalerylpiperazino)phenyl]nicotinamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c1-15(2)11-20(27)26-9-7-25(8-10-26)19-5-3-18(4-6-19)24-21(28)16-12-17(22)14-23-13-16/h3-6,12-15H,7-11H2,1-2H3,(H,24,28)