N-[2-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]phenyl]but-2-ynamide

Systemtic Name: N-[2-[(3-cyano-6,7-dimethoxy-quinolin-4-yl)amino]phenyl]but-2-ynamide Openeye Name: N-[2-[(3-cyano-6,7-dimethoxy-4-quinolyl)amino]phenyl]but-2-ynamide CAS Name: N-[2-[(3-cyano-6,7-dimethoxy-4-quinolinyl)amino]phenyl]-2-butynamide IUPAC Name: N-[2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]phenyl]but-2-ynamide Traditional Name: N-[2-[(3-cyano-6,7-dimethoxy-4-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=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C#N

Isomeric SMILES

CC#CC(=O)NC1=CC=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C#N

InChI

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