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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3-bromophenyl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(3-bromobenzoyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(3-bromophenyl)-oxomethyl]-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3-bromobenzoyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(3-bromobenzoyl)-N-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C25H29BrFN5O3 MolecularWeight: 546.431863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H29BrFN5O3/c26-17-5-1-4-16(14-17)24(34)31-12-3-13-32(25(35)30-21-7-2-6-18(27)15-21)23(31)22(33)29-20-10-8-19(28)9-11-20/h1-2,4-7,14-15,19-20,23H,3,8-13,28H2,(H,29,33)(H,30,35)