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

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-phenyl-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-phenyl-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-phenylpyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-phenyl-pyrazole-3-carboxamide Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c25-19(21-16-4-2-1-3-5-16)18-17(24(26)27)12-23(22-18)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2,(H,21,25)