furan-2-yl-[4-[[3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[[3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[[3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]piperazino]methanone Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O5/c29-18(17-2-1-7-33-17)25-3-5-26(6-4-25)19(30)21-9-15-8-16(10-21)12-22(11-15,13-21)27-14-23-20(24-27)28(31)32/h1-2,7,14-16H,3-6,8-13H2