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

Systemtic Name: 1-(1-adamantyl)-N-[4-[(1-methylpyrazol-3-yl)carbonylamino]phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C25H27N7O4 MolecularWeight: 489.52638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H27N7O4/c1-30-7-6-20(28-30)23(33)26-18-2-4-19(5-3-18)27-24(34)22-21(32(35)36)14-31(29-22)25-11-15-8-16(12-25)10-17(9-15)13-25/h2-7,14-17H,8-13H2,1H3,(H,26,33)(H,27,34)