N2-(4-azanylcyclohexyl)-N1-ethyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-ethyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-ethyl-3-(3-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-ethyl-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-ethyl-3-(3-fluorobenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-ethyl-3-(3-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H30FN5O3 MolecularWeight: 419.493003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN5O3/c1-2-24-21(30)27-12-4-11-26(20(29)14-5-3-6-15(22)13-14)19(27)18(28)25-17-9-7-16(23)8-10-17/h3,5-6,13,16-17,19H,2,4,7-12,23H2,1H3,(H,24,30)(H,25,28)