1-(1-adamantyl)-N-(5-bromanylpyridin-2-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(5-bromanylpyridin-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(5-bromo-2-pyridyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(5-bromo-2-pyridinyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(5-bromopyridin-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(5-bromo-2-pyridyl)-4-nitro-pyrazole-3-carboxamide Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O3/c20-14-1-2-16(21-9-14)22-18(26)17-15(25(27)28)10-24(23-17)19-6-11-3-12(7-19)5-13(4-11)8-19/h1-2,9-13H,3-8H2,(H,21,22,26)