5-(isoquinolin-5-yloxymethyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-[2-(2-pyridyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-[2-(2-pyridinyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[2-(2-pyridyl)ethyl]isoxazole-3-carboxamide Formula: C21H18N4O3 MolecularWeight: 374.39262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=NC(=C1)CCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H18N4O3/c26-21(24-11-7-16-5-1-2-9-23-16)19-12-17(28-25-19)14-27-20-6-3-4-15-13-22-10-8-18(15)20/h1-6,8-10,12-13H,7,11,14H2,(H,24,26)