1-(1-adamantyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C26H30N6O3/c1-16-6-17(2)30(28-16)14-18-4-3-5-22(10-18)27-25(33)24-23(32(34)35)15-31(29-24)26-11-19-7-20(12-26)9-21(8-19)13-26/h3-6,10,15,19-21H,7-9,11-14H2,1-2H3,(H,27,33)