N-(1-adamantyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

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