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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O3/c1-23-10-15(9-21-23)8-20-18(26)17-16(25(27)28)11-24(22-17)19-5-12-2-13(6-19)4-14(3-12)7-19/h9-14H,2-8H2,1H3,(H,20,26)