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

Systemtic Name: N-[(1-ethyl-5-oxidanylidene-pyrrolidin-3-yl)methyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(1-ethyl-5-oxo-pyrrolidin-3-yl)methyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-[(1-ethyl-5-oxo-3-pyrrolidinyl)methyl]-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(1-ethyl-5-keto-pyrrolidin-3-yl)methyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CC1=O)CNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCN1CC(CC1=O)CNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H22N4O4/c1-2-25-12-14(8-20(25)26)10-23-21(27)18-9-16(29-24-18)13-28-19-5-3-4-15-11-22-7-6-17(15)19/h3-7,9,11,14H,2,8,10,12-13H2,1H3,(H,23,27)