1-[2-(1-adamantylcarbonylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-(1-adamantylcarbonylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-(adamantane-1-carbonylamino)ethyl]-N-(4-pyridylmethyl)triazole-4-carboxamide CAS Name: 1-[2-[[1-adamantyl(oxo)methyl]amino]ethyl]-N-(pyridin-4-ylmethyl)-4-triazolecarboxamide IUPAC Name: 1-[2-(adamantane-1-carbonylamino)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide Traditional Name: 1-[2-(adamantane-1-carbonylamino)ethyl]-N-(4-pyridylmethyl)triazole-4-carboxamide Formula: C22H28N6O2 MolecularWeight: 408.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCN4C=C(N=N4)C(=O)NCC5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCN4C=C(N=N4)C(=O)NCC5=CC=NC=C5

InChI

InChI=1S/C22H28N6O2/c29-20(25-13-15-1-3-23-4-2-15)19-14-28(27-26-19)6-5-24-21(30)22-10-16-7-17(11-22)9-18(8-16)12-22/h1-4,14,16-18H,5-13H2,(H,24,30)(H,25,29)