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

Systemtic Name: 4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-yl-piperazine-1-carboxamide Openeye Name: 4-[(4-fluoro-3-methyl-benzothiophen-2-yl)methyl]-N-(3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperazine-1-carboxamide Traditional Name: 4-[(4-fluoro-3-methyl-benzothiophen-2-yl)methyl]-N-(3-pyridyl)piperazine-1-carboxamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C20H21FN4OS/c1-14-18(27-17-6-2-5-16(21)19(14)17)13-24-8-10-25(11-9-24)20(26)23-15-4-3-7-22-12-15/h2-7,12H,8-11,13H2,1H3,(H,23,26)