6-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-N-pentyl-pyridine-3-carboxamide

Systemtic Name: 6-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-N-pentyl-pyridine-3-carboxamide Openeye Name: 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentyl-pyridine-3-carboxamide CAS Name: 6-[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]-N-pentyl-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide Traditional Name: N-amyl-6-[4-(2-bromobenzoyl)piperazino]nicotinamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCCCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H27BrN4O2/c1-2-3-6-11-24-21(28)17-9-10-20(25-16-17)26-12-14-27(15-13-26)22(29)18-7-4-5-8-19(18)23/h4-5,7-10,16H,2-3,6,11-15H2,1H3,(H,24,28)