N-[3-cyano-4-[(3-ethynylphenyl)amino]quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[3-cyano-4-[(3-ethynylphenyl)amino]quinolin-6-yl]but-2-ynamide Openeye Name: N-[3-cyano-4-(3-ethynylanilino)-6-quinolyl]but-2-ynamide CAS Name: N-[3-cyano-4-(3-ethynylanilino)-6-quinolinyl]-2-butynamide IUPAC Name: N-[3-cyano-4-(3-ethynylanilino)quinolin-6-yl]but-2-ynamide Traditional Name: N-[3-cyano-4-(3-ethynylanilino)-6-quinolyl]but-2-ynamide Formula: C22H14N4O MolecularWeight: 350.37276

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C22H14N4O/c1-3-6-21(27)25-18-9-10-20-19(12-18)22(16(13-23)14-24-20)26-17-8-5-7-15(4-2)11-17/h2,5,7-12,14H,1H3,(H,24,26)(H,25,27)