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

Systemtic Name: 2-fluoranyl-N-[3-methyl-1-oxidanylidene-1-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]butan-2-yl]benzamide Openeye Name: 2-fluoro-N-[2-methyl-1-[[4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]propyl]benzamide CAS Name: 2-fluoro-N-[3-methyl-1-oxo-1-[4-(3-oxo-1-piperazinyl)anilino]butan-2-yl]benzamide IUPAC Name: 2-fluoro-N-[3-methyl-1-oxo-1-[4-(3-oxopiperazin-1-yl)anilino]butan-2-yl]benzamide Traditional Name: 2-fluoro-N-[1-[[4-(3-ketopiperazino)phenyl]carbamoyl]-2-methyl-propyl]benzamide Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)N2CCNC(=O)C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)N2CCNC(=O)C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H25FN4O3/c1-14(2)20(26-21(29)17-5-3-4-6-18(17)23)22(30)25-15-7-9-16(10-8-15)27-12-11-24-19(28)13-27/h3-10,14,20H,11-13H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)