N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridyl]-2-phenyl-acetamide CAS Name: N-[6-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]-2-phenylacetamide IUPAC Name: N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-2-phenylacetamide Traditional Name: N-[6-(4-isovalerylpiperazino)-3-pyridyl]-2-phenyl-acetamide Formula: C22H28N4O2 MolecularWeight: 380.48332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-17(2)14-22(28)26-12-10-25(11-13-26)20-9-8-19(16-23-20)24-21(27)15-18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3,(H,24,27)