N-(1-adamantyl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-4-carboxamide Formula: C26H24Cl2IN3O MolecularWeight: 592.29873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N(N=C4)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N(N=C4)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)I

InChI

InChI=1S/C26H24Cl2IN3O/c27-19-3-6-23(22(28)10-19)32-24(18-1-4-20(29)5-2-18)21(14-30-32)25(33)31-26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,14-17H,7-9,11-13H2,(H,31,33)