N-[2,4-bis(fluoranyl)phenyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide Formula: C20H21F2N3O2 MolecularWeight: 373.396446

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C20H21F2N3O2/c21-16-2-3-18(17(22)12-16)23-20(26)25-8-6-24(7-9-25)13-14-1-4-19-15(11-14)5-10-27-19/h1-4,11-12H,5-10,13H2,(H,23,26)