N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]-N-methyl-adamantane-1-carboxamide

Systemtic Name: N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]-N-methyl-adamantane-1-carboxamide Openeye Name: N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]-N-methyl-adamantane-1-carboxamide CAS Name: N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-pyrazolyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]-N-methyladamantane-1-carboxamide Traditional Name: N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]-N-methyl-adamantane-1-carboxamide Formula: C27H26Cl3N3O MolecularWeight: 514.87384

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H26Cl3N3O/c1-32(26(34)27-13-16-8-17(14-27)10-18(9-16)15-27)25-12-24(19-2-4-20(28)5-3-19)33(31-25)23-7-6-21(29)11-22(23)30/h2-7,11-12,16-18H,8-10,13-15H2,1H3