N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-pyridin-4-ylcarbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-pyridin-4-ylcarbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-3-isonicotinoyl-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=CC=NC=C3

Isomeric SMILES

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

InChI

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