1-(1-adamantyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C26H30N6O4/c1-16-3-4-23(17(2)5-16)36-15-30-13-21(12-27-30)28-25(33)24-22(32(34)35)14-31(29-24)26-9-18-6-19(10-26)8-20(7-18)11-26/h3-5,12-14,18-20H,6-11,15H2,1-2H3,(H,28,33)