N-(2-azanylethyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-cyclohexylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-cyclohexylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3,5-difluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-3-[(3,5-difluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3,5-difluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3,5-difluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H28F2N4O3 MolecularWeight: 422.468826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C21H28F2N4O3/c22-16-11-15(12-17(23)13-16)21(30)27-10-4-9-26(19(27)18(28)25-8-7-24)20(29)14-5-2-1-3-6-14/h11-14,19H,1-10,24H2,(H,25,28)