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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-fluorophenyl)carbonyl-3-(oxolan-2-ylcarbonyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(tetrahydrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-fluorophenyl)-oxomethyl]-3-[oxo(2-oxolanyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(oxolane-2-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(tetrahydrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide Formula: C23H31FN4O4 MolecularWeight: 446.515043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CC(OC1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H31FN4O4/c24-16-5-1-4-15(14-16)22(30)27-11-3-12-28(23(31)19-6-2-13-32-19)21(27)20(29)26-18-9-7-17(25)8-10-18/h1,4-5,14,17-19,21H,2-3,6-13,25H2,(H,26,29)