1-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O5/c1-14(19-9-18(32-2)4-5-21(19)33-3)25-23(29)22-20(28(30)31)13-27(26-22)24-10-15-6-16(11-24)8-17(7-15)12-24/h4-5,9,13-17H,6-8,10-12H2,1-3H3,(H,25,29)