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

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c1-22-10-14(24(26)27)16(21-22)17(25)19-15-2-3-23(20-15)18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H,19,20,25)