1-(1-adamantyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-bromo-2-fluoro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-bromo-2-fluoro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C20H20BrFN4O3 MolecularWeight: 463.300203

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrFN4O3/c21-14-1-2-16(15(22)6-14)23-19(27)18-17(26(28)29)10-25(24-18)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H,23,27)