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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

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