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

Systemtic Name: 2-[5-(cyanomethoxy)-4-methyl-2-oxidanylidene-3-phenethyl-1-(phenylmethyl)quinolin-7-yl]oxyethanenitrile Openeye Name: 2-[[1-benzyl-5-(cyanomethoxy)-4-methyl-2-oxo-3-phenethyl-7-quinolyl]oxy]acetonitrile CAS Name: 2-[[5-(cyanomethoxy)-4-methyl-2-oxo-3-phenethyl-1-(phenylmethyl)-7-quinolinyl]oxy]acetonitrile IUPAC Name: 2-[1-benzyl-5-(cyanomethoxy)-4-methyl-2-oxo-3-phenethylquinolin-7-yl]oxyacetonitrile Traditional Name: 2-[[1-benzyl-5-(cyanomethoxy)-2-keto-4-methyl-3-phenethyl-7-quinolyl]oxy]acetonitrile Formula: C29H25N3O3 MolecularWeight: 463.5271

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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=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(C2=CC(=CC(=C12)OCC#N)OCC#N)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O3/c1-21-25(13-12-22-8-4-2-5-9-22)29(33)32(20-23-10-6-3-7-11-23)26-18-24(34-16-14-30)19-27(28(21)26)35-17-15-31/h2-11,18-19H,12-13,16-17,20H2,1H3