3-chloranyl-6-fluoranyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3-chloro-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[1-(phenylmethyl)-3-pyrrolidinyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-3-chloro-6-fluoro-benzothiophene-2-carboxamide Formula: C20H18ClFN2OS MolecularWeight: 388.886123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H18ClFN2OS/c21-18-16-7-6-14(22)10-17(16)26-19(18)20(25)23-15-8-9-24(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,23,25)