5-bromanyl-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]nicotinamide Formula: C24H22BrClN4O2 MolecularWeight: 513.81408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C24H22BrClN4O2/c1-16-5-7-17(8-6-16)24(32)30-11-9-29(10-12-30)22-20(26)3-2-4-21(22)28-23(31)18-13-19(25)15-27-14-18/h2-8,13-15H,9-12H2,1H3,(H,28,31)