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

Systemtic Name: N-(1-adamantylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)CN5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)CN5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O3/c26-16(19-9-18-6-12-3-13(7-18)5-14(4-12)8-18)15-1-2-23(21-15)11-24-10-20-17(22-24)25(27)28/h1-2,10,12-14H,3-9,11H2,(H,19,26)