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

Systemtic Name: N-(2-adamantyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C17H21N7O3 MolecularWeight: 371.39374

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)CN5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)CN5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O3/c25-16(19-15-12-4-10-3-11(6-12)7-13(15)5-10)14-1-2-22(20-14)9-23-8-18-17(21-23)24(26)27/h1-2,8,10-13,15H,3-7,9H2,(H,19,25)