1-(1-adamantyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O5/c1-3-34-22-6-5-17(12-23(22)35-4-2)7-8-27-25(31)24-21(30(32)33)16-29(28-24)26-13-18-9-19(14-26)11-20(10-18)15-26/h5-6,12,16,18-20H,3-4,7-11,13-15H2,1-2H3,(H,27,31)