N-[3-[(2-acetamido-3-methyl-butanoyl)amino]-4-fluoranyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[(2-acetamido-3-methyl-butanoyl)amino]-4-fluoranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(2-acetamido-3-methyl-butanoyl)amino]-4-fluoro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(2-acetamido-3-methyl-1-oxobutyl)amino]-4-fluorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(2-acetamido-3-methylbutanoyl)amino]-4-fluorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[(2-acetamido-3-methyl-butanoyl)amino]-4-fluoro-phenyl]-piperonylamide Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F)NC(=O)C

InChI

InChI=1S/C21H22FN3O5/c1-11(2)19(23-12(3)26)21(28)25-16-9-14(5-6-15(16)22)24-20(27)13-4-7-17-18(8-13)30-10-29-17/h4-9,11,19H,10H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)