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

Systemtic Name: 5-bromanyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]nicotinamide Formula: C21H24BrClN4O2 MolecularWeight: 479.79786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrClN4O2/c1-14(2)9-20(28)27-7-5-26(6-8-27)19-4-3-17(11-18(19)23)25-21(29)15-10-16(22)13-24-12-15/h3-4,10-14H,5-9H2,1-2H3,(H,25,29)