N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromanylphenoxy)methyl]benzamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromanylphenoxy)methyl]benzamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromophenoxy)methyl]benzamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-3-[(4-bromophenoxy)methyl]benzamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromophenoxy)methyl]benzamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromophenoxy)methyl]benzamide Formula: C27H28BrN3O2 MolecularWeight: 506.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=CC(=CC=C5)COC6=CC=C(C=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=CC(=CC=C5)COC6=CC=C(C=C6)Br

InChI

InChI=1S/C27H28BrN3O2/c28-23-4-6-24(7-5-23)33-17-18-2-1-3-22(13-18)26(32)29-25-8-9-31(30-25)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,13,19-21H,10-12,14-17H2,(H,29,30,32)