5-(isoquinolin-5-yloxymethyl)-N-[2-(2-oxidanylidenepiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-[2-(2-oxidanylidenepiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-[2-(2-oxo-1-piperidyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-[2-(2-oxo-1-piperidinyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[2-(2-ketopiperidino)ethyl]isoxazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)CCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCN(C(=O)C1)CCNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H22N4O4/c26-20-6-1-2-10-25(20)11-9-23-21(27)18-12-16(29-24-18)14-28-19-5-3-4-15-13-22-8-7-17(15)19/h3-5,7-8,12-13H,1-2,6,9-11,14H2,(H,23,27)