N-(4-azanylcyclohexyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3,5-difluorophenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-nicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C24H27F2N5O3 MolecularWeight: 471.499686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27F2N5O3/c25-17-11-16(12-18(26)13-17)24(34)31-10-2-9-30(23(33)15-3-1-8-28-14-15)22(31)21(32)29-20-6-4-19(27)5-7-20/h1,3,8,11-14,19-20,22H,2,4-7,9-10,27H2,(H,29,32)