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

Systemtic Name: 1-(1-adamantyl)-N-[(1-ethylpyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(1-ethylpyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(1-ethyl-3-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(1-ethylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[(1-ethylpyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide Formula: C20H26N6O3 MolecularWeight: 398.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O3/c1-2-24-4-3-16(22-24)11-21-19(27)18-17(26(28)29)12-25(23-18)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,12-15H,2,5-11H2,1H3,(H,21,27)