1-(1-adamantyl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1-benzyl-4-chloropyrazol-3-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-nitro-pyrazole-3-carboxamide Formula: C24H25ClN6O3 MolecularWeight: 480.9467

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Cl)CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Cl)CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H25ClN6O3/c25-19-13-29(12-15-4-2-1-3-5-15)28-22(19)26-23(32)21-20(31(33)34)14-30(27-21)24-9-16-6-17(10-24)8-18(7-16)11-24/h1-5,13-14,16-18H,6-12H2,(H,26,28,32)