N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[(piperonyloylamino)carbamoyl]propyl]benzamide Formula: C20H20FN3O5 MolecularWeight: 401.388303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O5/c1-11(2)17(22-18(25)12-3-6-14(21)7-4-12)20(27)24-23-19(26)13-5-8-15-16(9-13)29-10-28-15/h3-9,11,17H,10H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1