4-[3-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C24H23N5O3S MolecularWeight: 461.53612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=O)C4=C(N=CC=C4)SCCCC#N

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=O)C4=C(N=CC=C4)SCCCC#N

InChI

InChI=1S/C24H23N5O3S/c1-32-21-16-20(27-19-10-3-2-8-17(19)21)24(31)29-14-7-13-28(29)23(30)18-9-6-12-26-22(18)33-15-5-4-11-25/h2-3,6,8-10,12,16H,4-5,7,13-15H2,1H3