2-[2-[(3-fluorophenyl)-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)methyl]-1H-indol-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(3-fluorophenyl)-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)methyl]-1H-indol-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-fluorophenyl)-(2-hydroxy-1-methyl-4-oxo-3-quinolyl)methyl]-1H-indol-3-yl]acetonitrile CAS Name: 2-[2-[(3-fluorophenyl)-(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)methyl]-1H-indol-3-yl]acetonitrile IUPAC Name: 2-[2-[(3-fluorophenyl)-(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]acetonitrile Traditional Name: 2-[2-[(3-fluorophenyl)-(2-hydroxy-4-keto-1-methyl-3-quinolyl)methyl]-1H-indol-3-yl]acetonitrile Formula: C27H20FN3O2 MolecularWeight: 437.465003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(C3=CC(=CC=C3)F)C4=C(C5=CC=CC=C5N4)CC#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(C3=CC(=CC=C3)F)C4=C(C5=CC=CC=C5N4)CC#N

InChI

InChI=1S/C27H20FN3O2/c1-31-22-12-5-3-10-20(22)26(32)24(27(31)33)23(16-7-6-8-17(28)15-16)25-19(13-14-29)18-9-2-4-11-21(18)30-25/h2-12,15,23,30,33H,13H2,1H3