1-(1-adamantyl)-N-(1-ethyl-5-methyl-pyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(1-ethyl-5-methyl-pyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1-ethyl-5-methyl-pyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(1-ethyl-5-methyl-4-pyrazolyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1-ethyl-5-methylpyrazol-4-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-ethyl-5-methyl-pyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide Formula: C20H26N6O3 MolecularWeight: 398.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O3/c1-3-24-12(2)16(10-21-24)22-19(27)18-17(26(28)29)11-25(23-18)20-7-13-4-14(8-20)6-15(5-13)9-20/h10-11,13-15H,3-9H2,1-2H3,(H,22,27)