1-(1-adamantyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(1-ethyl-3-pyrazolyl)ethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C=CC(=N1)C(C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N6O3/c1-3-25-5-4-17(23-25)13(2)22-20(28)19-18(27(29)30)12-26(24-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,12-16H,3,6-11H2,1-2H3,(H,22,28)