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

Systemtic Name: 1-(1-adamantyl)-N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H23BrClFN6O3 MolecularWeight: 577.833223

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Br)CC6=C(C=CC=C6Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Br)CC6=C(C=CC=C6Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C24H23BrClFN6O3/c25-17-11-31(10-16-18(26)2-1-3-19(16)27)30-22(17)28-23(34)21-20(33(35)36)12-32(29-21)24-7-13-4-14(8-24)6-15(5-13)9-24/h1-3,11-15H,4-10H2,(H,28,30,34)