7-fluoranyl-2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]quinoline-3-carboxamide

Systemtic Name: 7-fluoranyl-2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]quinoline-3-carboxamide Openeye Name: 7-fluoro-2-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]quinoline-3-carboxamide CAS Name: 7-fluoro-2-methyl-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-quinolinecarboxamide IUPAC Name: 7-fluoro-2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide Traditional Name: 7-fluoro-2-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]quinoline-3-carboxamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCC(C3=CC=CS3)N4CCOCC4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C21H22FN3O2S/c1-14-17(11-15-4-5-16(22)12-18(15)24-14)21(26)23-13-19(20-3-2-10-28-20)25-6-8-27-9-7-25/h2-5,10-12,19H,6-9,13H2,1H3,(H,23,26)/t19-/m0/s1