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

Systemtic Name: 4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-yl-piperazine-1-carboxamide Openeye Name: 4-[(5-fluoro-3-methyl-benzothiophen-2-yl)methyl]-N-(3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperazine-1-carboxamide Traditional Name: 4-[(5-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=C1C=C(C=C2)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

InChI

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