N-(2-azanylethyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,5-difluorophenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-nicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C20H21F2N5O3 MolecularWeight: 417.409246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F2N5O3/c21-15-9-14(10-16(22)11-15)20(30)27-8-2-7-26(18(27)17(28)25-6-4-23)19(29)13-3-1-5-24-12-13/h1,3,5,9-12,18H,2,4,6-8,23H2,(H,25,28)