[3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-(4-methylpiperazino)methanone Formula: C18H25BrN6O3 MolecularWeight: 453.3335

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C(=NC(=N5)[N+](=O)[O-])Br

Isomeric SMILES

CN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C(=NC(=N5)[N+](=O)[O-])Br

InChI

InChI=1S/C18H25BrN6O3/c1-22-2-4-23(5-3-22)14(26)17-7-12-6-13(8-17)10-18(9-12,11-17)24-15(19)20-16(21-24)25(27)28/h12-13H,2-11H2,1H3