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

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-phenethyl-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-phenethyl-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-phenethyl-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-phenethylpyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-phenethyl-pyrazole-3-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c27-21(23-7-6-15-4-2-1-3-5-15)20-19(26(28)29)14-25(24-20)22-11-16-8-17(12-22)10-18(9-16)13-22/h1-5,14,16-18H,6-13H2,(H,23,27)