N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[2-(piperonylcarbamoyl)phenyl]isoxazole-4-carboxamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O5/c1-12-19(13(2)29-24-12)21(26)23-16-6-4-3-5-15(16)20(25)22-10-14-7-8-17-18(9-14)28-11-27-17/h3-9H,10-11H2,1-2H3,(H,22,25)(H,23,26)