N-(2,2-dimethyloxan-4-yl)-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(2,2-dimethyloxan-4-yl)-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(2,2-dimethyltetrahydropyran-4-yl)-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-(2,2-dimethyl-4-oxanyl)-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-(2,2-dimethyloxan-4-yl)-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2,2-dimethyltetrahydropyran-4-yl)-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)NC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1(CC(CCO1)NC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C21H23N3O4/c1-21(2)11-15(7-9-27-21)23-20(25)18-10-16(28-24-18)13-26-19-5-3-4-14-12-22-8-6-17(14)19/h3-6,8,10,12,15H,7,9,11,13H2,1-2H3,(H,23,25)