(4-methyl-2-oxidanylidene-chromen-7-yl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C22H19N3O4 MolecularWeight: 389.40396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H19N3O4/c1-14-10-21(26)29-19-11-17(3-4-18(14)19)28-22(27)16-6-8-25(9-7-16)20-5-2-15(12-23)13-24-20/h2-5,10-11,13,16H,6-9H2,1H3