N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-(5-nitrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-3-[(5-nitro-2-furanyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-(5-nitrofuran-2-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-(5-nitro-2-furoyl)hexahydropyrimidine-2-carboxamide Formula: C23H26FN5O6 MolecularWeight: 487.480843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5O6/c24-15-4-2-14(3-5-15)22(31)27-12-1-13-28(23(32)18-10-11-19(35-18)29(33)34)21(27)20(30)26-17-8-6-16(25)7-9-17/h2-5,10-11,16-17,21H,1,6-9,12-13,25H2,(H,26,30)