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

Systemtic Name: 1-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-homoveratryl-4-nitro-pyrazole-3-carboxamide Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C24H30N4O5/c1-32-20-4-3-15(10-21(20)33-2)5-6-25-23(29)22-19(28(30)31)14-27(26-22)24-11-16-7-17(12-24)9-18(8-16)13-24/h3-4,10,14,16-18H,5-9,11-13H2,1-2H3,(H,25,29)