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

Systemtic Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O4/c1-16-24(17(2)31(29-16)14-18-5-4-6-22(10-18)37-3)28-26(34)25-23(33(35)36)15-32(30-25)27-11-19-7-20(12-27)9-21(8-19)13-27/h4-6,10,15,19-21H,7-9,11-14H2,1-3H3,(H,28,34)