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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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