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

Systemtic Name: N2-(2-azanylethyl)-N1-ethyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-ethyl-3-(3-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-ethyl-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-ethyl-3-(3-fluorobenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-ethyl-3-(3-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C17H24FN5O3 MolecularWeight: 365.402563

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCNC(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C17H24FN5O3/c1-2-20-17(26)23-10-4-9-22(15(23)14(24)21-8-7-19)16(25)12-5-3-6-13(18)11-12/h3,5-6,11,15H,2,4,7-10,19H2,1H3,(H,20,26)(H,21,24)