4-[3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide

Systemtic Name: 4-[3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide Openeye Name: 4-[3-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide CAS Name: 4-[[3-[4-[4-cyano-2-(2-furanyl)-5-oxazolyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide Traditional Name: 4-[3-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]propanoylamino]benzamide Formula: C22H23N6O4+ MolecularWeight: 435.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C22H22N6O4/c23-14-17-22(32-21(26-17)18-2-1-13-31-18)28-11-9-27(10-12-28)8-7-19(29)25-16-5-3-15(4-6-16)20(24)30/h1-6,13H,7-12H2,(H2,24,30)(H,25,29)/p+1