3-(1-adamantyl)-N-(3-methoxy-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(3-methoxy-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(3-methoxy-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(3-methoxy-5-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(3-methoxy-5-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(3-methoxy-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4O4/c1-35-23-11-20(10-22(12-23)31(33)34)28-26(32)24-16-30(21-5-3-2-4-6-21)29-25(24)27-13-17-7-18(14-27)9-19(8-17)15-27/h2-6,10-12,16-19H,7-9,13-15H2,1H3,(H,28,32)