4-[(3-ethyl-5-fluoranyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-yl-piperazine-1-carboxamide

Systemtic Name: 4-[(3-ethyl-5-fluoranyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-yl-piperazine-1-carboxamide Openeye Name: 4-[(3-ethyl-5-fluoro-benzothiophen-2-yl)methyl]-N-(3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[(3-ethyl-5-fluoro-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[(3-ethyl-5-fluoro-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperazine-1-carboxamide Traditional Name: 4-[(3-ethyl-5-fluoro-benzothiophen-2-yl)methyl]-N-(3-pyridyl)piperazine-1-carboxamide Formula: C21H23FN4OS MolecularWeight: 398.496923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C=C(C=C2)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CCC1=C(SC2=C1C=C(C=C2)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H23FN4OS/c1-2-17-18-12-15(22)5-6-19(18)28-20(17)14-25-8-10-26(11-9-25)21(27)24-16-4-3-7-23-13-16/h3-7,12-13H,2,8-11,14H2,1H3,(H,24,27)