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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-(3-fluorophenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(3-fluorophenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-piperonyloyl-imidazolidine-2-carboxamide Formula: C25H27FN4O5 MolecularWeight: 482.504083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2N(CCN2C(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2N(CCN2C(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H27FN4O5/c26-17-3-1-2-15(12-17)24(32)29-10-11-30(23(29)22(31)28-19-7-5-18(27)6-8-19)25(33)16-4-9-20-21(13-16)35-14-34-20/h1-4,9,12-13,18-19,23H,5-8,10-11,14,27H2,(H,28,31)