N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(4-fluorobenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-bromophenyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H23BrFN5O3 MolecularWeight: 492.341423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrFN5O3/c22-15-3-1-4-17(13-15)26-21(31)28-12-2-11-27(19(28)18(29)25-10-9-24)20(30)14-5-7-16(23)8-6-14/h1,3-8,13,19H,2,9-12,24H2,(H,25,29)(H,26,31)