N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-pyridin-3-ylcarbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-pyridin-3-ylcarbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-3-nicotinoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C20H23FN6O3 MolecularWeight: 414.433423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H23FN6O3/c21-15-5-1-6-16(12-15)25-20(30)27-11-3-10-26(18(27)17(28)24-9-7-22)19(29)14-4-2-8-23-13-14/h1-2,4-6,8,12-13,18H,3,7,9-11,22H2,(H,24,28)(H,25,30)