N-[1-(1-adamantyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C20H27N7O3 MolecularWeight: 413.47348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)CN5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)CN5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O3/c1-2-17(20-8-13-5-14(9-20)7-15(6-13)10-20)22-18(28)16-3-4-25(23-16)12-26-11-21-19(24-26)27(29)30/h3-4,11,13-15,17H,2,5-10,12H2,1H3,(H,22,28)