N2-(4-azanylcyclohexyl)-N1-(4-methoxyphenyl)-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(4-methoxyphenyl)-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(4-methoxyphenyl)-3-(5-nitrofuran-2-carbonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(4-methoxyphenyl)-3-[(5-nitro-2-furanyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-(5-nitrofuran-2-carbonyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(4-methoxyphenyl)-3-(5-nitro-2-furoyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C24H30N6O7 MolecularWeight: 514.531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O7/c1-36-18-9-7-17(8-10-18)27-24(33)29-14-2-13-28(23(32)19-11-12-20(37-19)30(34)35)22(29)21(31)26-16-5-3-15(25)4-6-16/h7-12,15-16,22H,2-6,13-14,25H2,1H3,(H,26,31)(H,27,33)