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

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitro-pyrazole-3-carboxamide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=N5)CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=N5)CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O3/c31-21(25-22-24-14-28(27-22)12-15-4-2-1-3-5-15)20-19(30(32)33)13-29(26-20)23-9-16-6-17(10-23)8-18(7-16)11-23/h1-5,13-14,16-18H,6-12H2,(H,25,27,31)