N-[3-[(3-cyano-6,7-dimethoxy-quinolin-2-yl)amino]phenyl]but-2-ynamide

Systemtic Name: N-[3-[(3-cyano-6,7-dimethoxy-quinolin-2-yl)amino]phenyl]but-2-ynamide Openeye Name: N-[3-[(3-cyano-6,7-dimethoxy-2-quinolyl)amino]phenyl]but-2-ynamide CAS Name: N-[3-[(3-cyano-6,7-dimethoxy-2-quinolinyl)amino]phenyl]-2-butynamide IUPAC Name: N-[3-[(3-cyano-6,7-dimethoxyquinolin-2-yl)amino]phenyl]but-2-ynamide Traditional Name: N-[3-[(3-cyano-6,7-dimethoxy-2-quinolyl)amino]phenyl]but-2-ynamide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC=CC(=C1)NC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC

Isomeric SMILES

CC#CC(=O)NC1=CC=CC(=C1)NC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC

InChI

InChI=1S/C22H18N4O3/c1-4-6-21(27)24-16-7-5-8-17(11-16)25-22-15(13-23)9-14-10-19(28-2)20(29-3)12-18(14)26-22/h5,7-12H,1-3H3,(H,24,27)(H,25,26)