5-(isoquinolin-5-yloxymethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-[2-(4-pyridyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-(2-pyridin-4-ylethyl)-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[2-(4-pyridyl)ethyl]isoxazole-3-carboxamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)OCC3=CC(=NO3)C(=O)NCCC4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)OCC3=CC(=NO3)C(=O)NCCC4=CC=NC=C4

InChI

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