N2-(2-azanylethyl)-3-(1,3-benzodioxol-5-ylcarbonyl)-N1-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(1,3-benzodioxol-5-ylcarbonyl)-N1-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(1,3-benzodioxole-5-carbonyl)-N1-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-N1-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(1,3-benzodioxole-5-carbonyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-3-piperonyloyl-imidazolidine-1,2-dicarboxamide Formula: C21H22FN5O5 MolecularWeight: 443.428283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCN)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCN)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5O5/c22-14-2-1-3-15(11-14)25-21(30)27-9-8-26(19(27)18(28)24-7-6-23)20(29)13-4-5-16-17(10-13)32-12-31-16/h1-5,10-11,19H,6-9,12,23H2,(H,24,28)(H,25,30)