1-(1-adamantyl)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H24ClFN6O3 MolecularWeight: 498.937163

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5)CC6=C(C=CC=C6Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5)CC6=C(C=CC=C6Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C24H24ClFN6O3/c25-18-2-1-3-19(26)17(18)12-30-5-4-21(28-30)27-23(33)22-20(32(34)35)13-31(29-22)24-9-14-6-15(10-24)8-16(7-14)11-24/h1-5,13-16H,6-12H2,(H,27,28,33)