3-(azepan-1-yl)-6-fluoranyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-(azepan-1-yl)-6-fluoranyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-(azepan-1-yl)-6-fluoro-2-phenyl-quinoline-4-carboxylate CAS Name: 3-(1-azepanyl)-6-fluoro-2-phenyl-4-quinolinecarboxylate IUPAC Name: 3-(azepan-1-yl)-6-fluoro-2-phenylquinoline-4-carboxylate Traditional Name: 3-(azepan-1-yl)-6-fluoro-2-phenyl-cinchoninate Formula: C22H20FN2O2- MolecularWeight: 363.404803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C3C=CC(=CC3=C2C(=O)[O-])F)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C3C=CC(=CC3=C2C(=O)[O-])F)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN2O2/c23-16-10-11-18-17(14-16)19(22(26)27)21(25-12-6-1-2-7-13-25)20(24-18)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,26,27)/p-1