3-(4-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-[2-(pyrazol-1-ylmethyl)benzyl]adamantane-1-carboxamide Formula: C29H33N3O2 MolecularWeight: 455.59122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5=CC=CC=C5CN6C=CC=N6

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5=CC=CC=C5CN6C=CC=N6

InChI

InChI=1S/C29H33N3O2/c1-34-26-9-7-25(8-10-26)28-14-21-13-22(15-28)17-29(16-21,20-28)27(33)30-18-23-5-2-3-6-24(23)19-32-12-4-11-31-32/h2-12,21-22H,13-20H2,1H3,(H,30,33)