4-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanamide

Systemtic Name: 4-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanamide Openeye Name: 4-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanamide CAS Name: 4-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-2-cyanoethyl]thio]butanamide IUPAC Name: 4-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-2-cyanoethyl]sulfanylbutanamide Traditional Name: 4-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]thio]butyramide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(CC#N)SCCCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(CC#N)SCCCC(=O)N

InChI

InChI=1S/C23H22ClN3O2S/c24-18-8-6-16-7-9-19(27-21(16)14-18)15-29-20-4-1-3-17(13-20)22(10-11-25)30-12-2-5-23(26)28/h1,3-4,6-9,13-14,22H,2,5,10,12,15H2,(H2,26,28)