N-[(3,4-dimethoxyphenyl)methyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-veratryl-isoxazole-3-carboxamide Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)OC

InChI

InChI=1S/C23H21N3O5/c1-28-21-7-6-15(10-22(21)29-2)12-25-23(27)19-11-17(31-26-19)14-30-20-5-3-4-16-13-24-9-8-18(16)20/h3-11,13H,12,14H2,1-2H3,(H,25,27)