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

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O3/c1-2-23-11-15(25(27)28)17(22-23)18(26)20-16-3-4-24(21-16)19-8-12-5-13(9-19)7-14(6-12)10-19/h3-4,11-14H,2,5-10H2,1H3,(H,20,21,26)