N2-(4-azanylcyclohexyl)-N3-ethyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N3-ethyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N3-ethyl-N1-(3-fluorophenyl)hexahydropyrimidine-1,2,3-tricarboxamide CAS Name: N2-(4-aminocyclohexyl)-N3-ethyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-N-ethyl-1-N-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide Traditional Name: N2-(4-aminocyclohexyl)-N3-ethyl-N1-(3-fluorophenyl)hexahydropyrimidine-1,2,3-tricarboxamide Formula: C21H31FN6O3 MolecularWeight: 434.507643

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H31FN6O3/c1-2-24-20(30)27-11-4-12-28(21(31)26-17-6-3-5-14(22)13-17)19(27)18(29)25-16-9-7-15(23)8-10-16/h3,5-6,13,15-16,19H,2,4,7-12,23H2,1H3,(H,24,30)(H,25,29)(H,26,31)