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

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-[(4-methylpiperazin-1-yl)amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-[(4-methylpiperazin-1-yl)carbamoyl]propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-[(4-methyl-1-piperazinyl)amino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-[(4-methylpiperazin-1-yl)amino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[(4-methylpiperazino)carbamoyl]propyl]benzamide Formula: C17H25FN4O2 MolecularWeight: 336.404403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1CCN(CC1)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NN1CCN(CC1)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN4O2/c1-12(2)15(17(24)20-22-10-8-21(3)9-11-22)19-16(23)13-4-6-14(18)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)(H,20,24)/t15-/m0/s1