3-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-cyano-4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2-cyano-4-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N)C6=CC=CC=C6

InChI

InChI=1S/C27H25N5O3/c28-15-20-11-22(32(34)35)6-7-24(20)29-26(33)23-16-31(21-4-2-1-3-5-21)30-25(23)27-12-17-8-18(13-27)10-19(9-17)14-27/h1-7,11,16-19H,8-10,12-14H2,(H,29,33)