N-(2-azanylethyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-fluorophenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-fluorophenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(4-fluorophenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-piperonyloyl-imidazolidine-2-carboxamide Formula: C21H21FN4O5 MolecularWeight: 428.413643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21FN4O5/c22-15-4-1-13(2-5-15)20(28)25-9-10-26(19(25)18(27)24-8-7-23)21(29)14-3-6-16-17(11-14)31-12-30-16/h1-6,11,19H,7-10,12,23H2,(H,24,27)