N-[(2S)-5-(diethylamino)pentan-2-yl]-2-(4-fluorophenyl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-2-(4-fluorophenyl)-6-methyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-4-(diethylamino)-1-methyl-butyl]-2-(4-fluorophenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-2-(4-fluorophenyl)-6-methyl-4-quinolinecarboxamide IUPAC Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-2-(4-fluorophenyl)-6-methylquinoline-4-carboxamide Traditional Name: N-[(1S)-4-(diethylamino)-1-methyl-butyl]-2-(4-fluorophenyl)-6-methyl-cinchoninamide Formula: C26H32FN3O MolecularWeight: 421.550183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCC[C@H](C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H32FN3O/c1-5-30(6-2)15-7-8-19(4)28-26(31)23-17-25(20-10-12-21(27)13-11-20)29-24-14-9-18(3)16-22(23)24/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,28,31)/t19-/m0/s1