4-(dimethylamino)-1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(dimethylamino)-1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(dimethylamino)-1-[4-[6-(2-pyridyl)pyridine-3-carbonyl]piperazin-1-yl]butan-1-one CAS Name: 4-(dimethylamino)-1-[4-[oxo-[6-(2-pyridinyl)-3-pyridinyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(dimethylamino)-1-[4-(6-pyridin-2-ylpyridine-3-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(dimethylamino)-1-[4-[6-(2-pyridyl)nicotinoyl]piperazino]butan-1-one Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

CN(C)CCCC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C21H27N5O2/c1-24(2)11-5-7-20(27)25-12-14-26(15-13-25)21(28)17-8-9-19(23-16-17)18-6-3-4-10-22-18/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3