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

Systemtic Name: N-[(2S)-1-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[[2-(2-ethylanilino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-[[2-(2-ethylanilino)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H26FN3O3/c1-4-15-7-5-6-8-18(15)25-19(27)13-24-22(29)20(14(2)3)26-21(28)16-9-11-17(23)12-10-16/h5-12,14,20H,4,13H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1