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

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-[1-(4-pyridyl)propyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-(1-pyridin-4-ylpropyl)-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[1-(4-pyridyl)propyl]isoxazole-3-carboxamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-2-19(15-6-9-23-10-7-15)25-22(27)20-12-17(29-26-20)14-28-21-5-3-4-16-13-24-11-8-18(16)21/h3-13,19H,2,14H2,1H3,(H,25,27)