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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

InChI

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