1-ethyl-4-[2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanoylamino]-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-4-[2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanoylamino]-N-phenyl-pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[[2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]-N-phenyl-pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[2-[3-(4-nitro-1-pyrazolyl)-1-adamantyl]-1-oxoethyl]amino]-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[[2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]-N-phenylpyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[[2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]-N-phenyl-pyrazole-3-carboxamide Formula: C27H31N7O4 MolecularWeight: 517.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)[N+](=O)[O-]

InChI

InChI=1S/C27H31N7O4/c1-2-32-16-22(24(31-32)25(36)29-20-6-4-3-5-7-20)30-23(35)13-26-9-18-8-19(10-26)12-27(11-18,17-26)33-15-21(14-28-33)34(37)38/h3-7,14-16,18-19H,2,8-13,17H2,1H3,(H,29,36)(H,30,35)