4-fluoranyl-N-[3-methyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-methyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[2-methyl-1-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]propyl]benzamide CAS Name: 4-fluoro-N-[3-methyl-1-oxo-1-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]butan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[3-methyl-1-oxo-1-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide Traditional Name: 4-fluoro-N-[1-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]-2-methyl-propyl]benzamide Formula: C21H24FN5O3 MolecularWeight: 413.445363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN5O3/c1-13(2)19(26-20(29)14-3-5-15(22)6-4-14)21(30)25-16-7-8-17(24-11-16)27-10-9-23-18(28)12-27/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,23,28)(H,25,30)(H,26,29)