2-[5-(cyanomethoxy)-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-7-yl]oxyethanenitrile

Systemtic Name: 2-[5-(cyanomethoxy)-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-7-yl]oxyethanenitrile Openeye Name: 2-[[3-benzyl-5-(cyanomethoxy)-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-7-quinolyl]oxy]acetonitrile CAS Name: 2-[[5-(cyanomethoxy)-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3-(phenylmethyl)-7-quinolinyl]oxy]acetonitrile IUPAC Name: 2-[3-benzyl-5-(cyanomethoxy)-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxyacetonitrile Traditional Name: 2-[[3-benzyl-5-(cyanomethoxy)-1-(4-fluorobenzyl)-2-keto-4-methyl-7-quinolyl]oxy]acetonitrile Formula: C28H22FN3O3 MolecularWeight: 467.490983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=CC(=CC(=C12)OCC#N)OCC#N)CC3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(C2=CC(=CC(=C12)OCC#N)OCC#N)CC3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C28H22FN3O3/c1-19-24(15-20-5-3-2-4-6-20)28(33)32(18-21-7-9-22(29)10-8-21)25-16-23(34-13-11-30)17-26(27(19)25)35-14-12-31/h2-10,16-17H,13-15,18H2,1H3