N-(1-adamantylmethyl)-1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(2-bromo-4-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(2-bromo-4-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C22H25BrClN3O2 MolecularWeight: 478.8098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)Cl)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)Cl)Br

InChI

InChI=1S/C22H25BrClN3O2/c23-18-8-17(24)1-2-20(18)29-13-27-4-3-19(26-27)21(28)25-12-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,8,14-16H,5-7,9-13H2,(H,25,28)