N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-(4-pyridin-3-ylcarbonylpiperazin-2-yl)ethanamide

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-(4-pyridin-3-ylcarbonylpiperazin-2-yl)ethanamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-2-[4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-[4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: N-(3-chloro-4-methoxy-benzyl)-2-(4-nicotinoylpiperazin-2-yl)acetamide Formula: C20H23ClN4O3 MolecularWeight: 402.87462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)C3=CN=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)C3=CN=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O3/c1-28-18-5-4-14(9-17(18)21)11-24-19(26)10-16-13-25(8-7-23-16)20(27)15-3-2-6-22-12-15/h2-6,9,12,16,23H,7-8,10-11,13H2,1H3,(H,24,26)