3-chloranyl-6-fluoranyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[2-(pyrrolidinomethyl)benzyl]benzothiophene-2-carboxamide Formula: C21H20ClFN2OS MolecularWeight: 402.912703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H20ClFN2OS/c22-19-17-8-7-16(23)11-18(17)27-20(19)21(26)24-12-14-5-1-2-6-15(14)13-25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,24,26)