N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C25H28BrFN4O3 MolecularWeight: 531.417223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrFN4O3/c26-18-6-1-4-16(14-18)24(33)30-12-3-13-31(25(34)17-5-2-7-19(27)15-17)23(30)22(32)29-21-10-8-20(28)9-11-21/h1-2,4-7,14-15,20-21,23H,3,8-13,28H2,(H,29,32)