N2-(4-azanylcyclohexyl)-N3-(3-fluorophenyl)-N1-prop-2-enyl-imidazolidine-1,2,3-tricarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N3-(3-fluorophenyl)-N1-prop-2-enyl-imidazolidine-1,2,3-tricarboxamide Openeye Name: N1-allyl-N2-(4-aminocyclohexyl)-N3-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide CAS Name: N2-(4-aminocyclohexyl)-N3-(3-fluorophenyl)-N1-prop-2-enylimidazolidine-1,2,3-tricarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-prop-2-enylimidazolidine-1,2,3-tricarboxamide Traditional Name: N1-allyl-N2-(4-aminocyclohexyl)-N3-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide Formula: C21H29FN6O3 MolecularWeight: 432.491763

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C=CCNC(=O)N1CCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H29FN6O3/c1-2-10-24-20(30)27-11-12-28(21(31)26-17-5-3-4-14(22)13-17)19(27)18(29)25-16-8-6-15(23)7-9-16/h2-5,13,15-16,19H,1,6-12,23H2,(H,24,30)(H,25,29)(H,26,31)