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

Systemtic Name: 1-(1-adamantyl)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-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=CN(N=C5)CC6=C(C=C(C=C6)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)CC6=C(C=C(C=C6)F)Cl)[N+](=O)[O-]

InChI

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