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

Systemtic Name: 1-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3,4-diethoxybenzyl)-4-nitro-pyrazole-3-carboxamide Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OCC

InChI

InChI=1S/C25H32N4O5/c1-3-33-21-6-5-16(10-22(21)34-4-2)14-26-24(30)23-20(29(31)32)15-28(27-23)25-11-17-7-18(12-25)9-19(8-17)13-25/h5-6,10,15,17-19H,3-4,7-9,11-14H2,1-2H3,(H,26,30)