N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-pyridylmethyl)piperazine-1-carboxamide Formula: C18H18F2N4O3 MolecularWeight: 376.357326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C18H18F2N4O3/c19-18(20)26-15-4-3-14(10-16(15)27-18)22-17(25)24-8-6-23(7-9-24)12-13-2-1-5-21-11-13/h1-5,10-11H,6-9,12H2,(H,22,25)