1-(1-adamantyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(1-naphthylmethyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(1-naphthalenylmethyl)-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(1-naphthylmethyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5)CC6=CC=CC7=CC=CC=C76)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5)CC6=CC=CC7=CC=CC=C76)[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O3/c35-27(29-25-8-9-32(30-25)16-22-6-3-5-21-4-1-2-7-23(21)22)26-24(34(36)37)17-33(31-26)28-13-18-10-19(14-28)12-20(11-18)15-28/h1-9,17-20H,10-16H2,(H,29,30,35)