3-(1-adamantyl)-N-[2,6-bis(chloranyl)phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[2,6-bis(chloranyl)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2,6-dichlorophenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2,6-dichlorophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2,6-dichlorophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2,6-dichlorophenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H25Cl2N3O MolecularWeight: 466.4022

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=CC=C5Cl)Cl)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=CC=C5Cl)Cl)C6=CC=CC=C6

InChI

InChI=1S/C26H25Cl2N3O/c27-21-7-4-8-22(28)23(21)29-25(32)20-15-31(19-5-2-1-3-6-19)30-24(20)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18H,9-14H2,(H,29,32)