N-[(2S)-butan-2-yl]-4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxamide Openeye Name: 4-ethoxy-2-(4-fluorophenyl)-N-[(1S)-1-methylpropyl]quinoline-6-carboxamide CAS Name: N-[(2S)-butan-2-yl]-4-ethoxy-2-(4-fluorophenyl)-6-quinolinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxamide Traditional Name: 4-ethoxy-2-(4-fluorophenyl)-N-[(1S)-1-methylpropyl]quinoline-6-carboxamide Formula: C22H23FN2O2 MolecularWeight: 366.428623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(C=C2OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC2=C(C=C1)N=C(C=C2OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O2/c1-4-14(3)24-22(26)16-8-11-19-18(12-16)21(27-5-2)13-20(25-19)15-6-9-17(23)10-7-15/h6-14H,4-5H2,1-3H3,(H,24,26)/t14-/m0/s1