N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-o-toluoyl-isonipecotamide Formula: C21H20F2N2O4 MolecularWeight: 402.391306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C21H20F2N2O4/c1-13-4-2-3-5-16(13)20(27)25-10-8-14(9-11-25)19(26)24-15-6-7-17-18(12-15)29-21(22,23)28-17/h2-7,12,14H,8-11H2,1H3,(H,24,26)