2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-N-(3-oxidanyl-1-adamantyl)-3-oxidanylidene-pyrazole-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-N-(3-oxidanyl-1-adamantyl)-3-oxidanylidene-pyrazole-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-N-(3-hydroxy-1-adamantyl)-3-oxo-pyrazole-4-carboxamide CAS Name: 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-N-(3-hydroxy-1-adamantyl)-3-oxo-4-pyrazolecarboxamide IUPAC Name: 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-N-(3-hydroxy-1-adamantyl)-3-oxopyrazole-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-1-(2,4-dichlorobenzyl)-N-(3-hydroxy-1-adamantyl)-3-keto-3-pyrazoline-4-carboxamide Formula: C27H26Cl3N3O3 MolecularWeight: 546.87264

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)NC(=O)C4=CN(N(C4=O)C5=CC=C(C=C5)Cl)CC6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)NC(=O)C4=CN(N(C4=O)C5=CC=C(C=C5)Cl)CC6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C27H26Cl3N3O3/c28-19-3-5-21(6-4-19)33-25(35)22(14-32(33)13-18-1-2-20(29)8-23(18)30)24(34)31-26-9-16-7-17(10-26)12-27(36,11-16)15-26/h1-6,8,14,16-17,36H,7,9-13,15H2,(H,31,34)