2,3,5,6,7,8-hexahydro-3-oxo-1-phenyl-4-Isoquinolinecarbonitrile
3-oxo-1-phenyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
Also Known As: Bionet2_001069|Oprea1_119691|Oprea1_523604|Oprea1_752643|3-oxo-1-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile|KS-000021M7|NCGC00018643-01|3-hydroxy-1-phenyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile|3-oxo-1-phenyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile|9R-0364|SR-01000000606-2|SR-01000000606-3|3-hydroxy-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|2,3,5,6,7,8-hexahydro-3-oxo-1-phenyl-4-Isoquinolinecarbonitrile|4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo-1-phenyl-|111-959-0
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11061 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.11061 |
| Monoisotopic Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 53661-29-3 |
|---|---|
| SMILES | C1CCC2=C(NC(=O)C(=C2C1)C#N)C3=CC=CC=C3 |
| InChIKey | FEVDPUCGQBSYBW-UHFFFAOYSA-N |
Product Overview
2,3,5,6,7,8-hexahydro-3-oxo-1-phenyl-4-Isoquinolinecarbonitrile (CAS 53661-29-3), with molecular formula C16H14N2O and molecular weight 250.11061 g/mol. IUPAC: 3-oxo-1-phenyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile.
2,3,5,6,7,8-hexahydro-3-oxo-1-phenyl-4-Isoquinolinecarbonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »