1-[4-(1-adamantyl)piperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazinyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazino]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C18H26N6O3 MolecularWeight: 374.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC(=N2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC(=N2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C18H26N6O3/c25-16(11-23-12-19-17(20-23)24(26)27)21-1-3-22(4-2-21)18-8-13-5-14(9-18)7-15(6-13)10-18/h12-15H,1-11H2