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

Systemtic Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-m-anisylpyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H28N6O4/c1-35-21-4-2-3-16(8-21)13-29-14-20(12-26-29)27-24(32)23-22(31(33)34)15-30(28-23)25-9-17-5-18(10-25)7-19(6-17)11-25/h2-4,8,12,14-15,17-19H,5-7,9-11,13H2,1H3,(H,27,32)