4-(1,3-benzodioxol-5-ylmethyl)-1-[3,4-bis(fluoranyl)phenyl]carbonyl-N-methyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-[3,4-bis(fluoranyl)phenyl]carbonyl-N-methyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-difluorobenzoyl)-N-methyl-piperazine-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-[(3,4-difluorophenyl)-oxomethyl]-N-methyl-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-difluorobenzoyl)-N-methylpiperazine-2-carboxamide Traditional Name: 1-(3,4-difluorobenzoyl)-N-methyl-4-piperonyl-piperazine-2-carboxamide Formula: C21H21F2N3O4 MolecularWeight: 417.405946

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)C2=CC(=C(C=C2)F)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)C2=CC(=C(C=C2)F)F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21F2N3O4/c1-24-20(27)17-11-25(10-13-2-5-18-19(8-13)30-12-29-18)6-7-26(17)21(28)14-3-4-15(22)16(23)9-14/h2-5,8-9,17H,6-7,10-12H2,1H3,(H,24,27)