N-(2-azanylethyl)-1-cyclohexylcarbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-cyclohexylcarbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H29FN4O3 MolecularWeight: 404.478363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O3/c22-17-9-7-16(8-10-17)21(29)26-14-4-13-25(19(26)18(27)24-12-11-23)20(28)15-5-2-1-3-6-15/h7-10,15,19H,1-6,11-14,23H2,(H,24,27)