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

Systemtic Name: N-(1-adamantylmethyl)-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(4-bromophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O2/c23-18-1-3-19(4-2-18)28-14-26-6-5-20(25-26)21(27)24-13-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-14H2,(H,24,27)