(2E)-2-[2-methyl-1-(2-quinolin-5-yloxypropanoyl)piperidin-4-ylidene]-2-phenyl-ethanenitrile

Systemtic Name: (2E)-2-[2-methyl-1-(2-quinolin-5-yloxypropanoyl)piperidin-4-ylidene]-2-phenyl-ethanenitrile Openeye Name: (2E)-2-[2-methyl-1-[2-(5-quinolyloxy)propanoyl]-4-piperidylidene]-2-phenyl-acetonitrile CAS Name: (2E)-2-[2-methyl-1-[1-oxo-2-(5-quinolinyloxy)propyl]-4-piperidinylidene]-2-phenylacetonitrile IUPAC Name: (2E)-2-[2-methyl-1-(2-quinolin-5-yloxypropanoyl)piperidin-4-ylidene]-2-phenylacetonitrile Traditional Name: (2E)-2-[2-methyl-1-[2-(5-quinolyloxy)propanoyl]-4-piperidylidene]-2-phenyl-acetonitrile Formula: C26H25N3O2 MolecularWeight: 411.4956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C#N)C2=CC=CC=C2)CCN1C(=O)C(C)OC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1C/C(=C(/C#N)\C2=CC=CC=C2)/CCN1C(=O)C(C)OC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C26H25N3O2/c1-18-16-21(23(17-27)20-8-4-3-5-9-20)13-15-29(18)26(30)19(2)31-25-12-6-11-24-22(25)10-7-14-28-24/h3-12,14,18-19H,13,15-16H2,1-2H3/b23-21-