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

Systemtic Name: N-butyl-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-butyl-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-butyl-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-butyl-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-butyl-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCNC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H19N3O3/c1-2-3-8-20-18(22)16-10-14(24-21-16)12-23-17-6-4-5-13-11-19-9-7-15(13)17/h4-7,9-11H,2-3,8,12H2,1H3,(H,20,22)