4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide Openeye Name: 4-[(4-fluoro-3-methyl-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide Traditional Name: 4-[(4-fluoro-3-methyl-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridyl)piperazine-1-carboxamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C4=C(C=CC=C4S3)F)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C4=C(C=CC=C4S3)F)C

InChI

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