2-(1-adamantyl)-N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]acetamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CN(N=C4)COC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CN(N=C4)COC5=CC=C(C=C5)Br

InChI

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