N2-(2-azanylethyl)-N1-[2,4-bis(fluoranyl)phenyl]-3-[3,5-bis(fluoranyl)phenyl]carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-[2,4-bis(fluoranyl)phenyl]-3-[3,5-bis(fluoranyl)phenyl]carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(3,5-difluorobenzoyl)-N1-(2,4-difluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(2,4-difluorophenyl)-3-[(3,5-difluorophenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(3,5-difluorobenzoyl)-1-N-(2,4-difluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(3,5-difluorobenzoyl)-N-(2,4-difluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H21F4N5O3 MolecularWeight: 467.416753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F4N5O3/c22-13-2-3-17(16(25)11-13)28-21(33)30-7-1-6-29(19(30)18(31)27-5-4-26)20(32)12-8-14(23)10-15(24)9-12/h2-3,8-11,19H,1,4-7,26H2,(H,27,31)(H,28,33)