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

Systemtic Name: N-(1-adamantyl)-1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(4-bromo-2-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H23BrClN3O2 MolecularWeight: 464.78322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O2/c22-16-1-2-19(17(23)8-16)28-12-26-4-3-18(25-26)20(27)24-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H,24,27)