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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O2/c1-16(2)9-10-24-21(28)17-7-8-20(25-15-17)26-11-13-27(14-12-26)22(29)18-5-3-4-6-19(18)23/h3-8,15-16H,9-14H2,1-2H3,(H,24,28)