N-(2-adamantyl)-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(4-bromophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C21H24BrN3O2/c22-17-1-3-18(4-2-17)27-12-25-6-5-19(24-25)21(26)23-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-6,13-16,20H,7-12H2,(H,23,26)