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

Systemtic Name: 1-(1-adamantyl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C28H34N6O5 MolecularWeight: 534.60676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)OCC

InChI

InChI=1S/C28H34N6O5/c1-3-38-24-6-5-18(10-25(24)39-4-2)15-32-16-22(14-29-32)30-27(35)26-23(34(36)37)17-33(31-26)28-11-19-7-20(12-28)9-21(8-19)13-28/h5-6,10,14,16-17,19-21H,3-4,7-9,11-13,15H2,1-2H3,(H,30,35)