2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-quinolin-3-yl-ethanamide

Systemtic Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-quinolin-3-yl-ethanamide Openeye Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-quinolyl)acetamide CAS Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N-(3-quinolinyl)acetamide IUPAC Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-quinolin-3-ylacetamide Traditional Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N-(3-quinolyl)acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H20N4OS/c23-12-17-10-15-6-2-1-3-9-20(15)26-22(17)28-14-21(27)25-18-11-16-7-4-5-8-19(16)24-13-18/h4-5,7-8,10-11,13H,1-3,6,9,14H2,(H,25,27)