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

Systemtic Name: N-[3-cyano-4-[(3-ethylphenyl)amino]quinolin-6-yl]but-2-ynamide Openeye Name: N-[3-cyano-4-(3-ethylanilino)-6-quinolyl]but-2-ynamide CAS Name: N-[3-cyano-4-(3-ethylanilino)-6-quinolinyl]-2-butynamide IUPAC Name: N-[3-cyano-4-(3-ethylanilino)quinolin-6-yl]but-2-ynamide Traditional Name: N-[3-cyano-4-(3-ethylanilino)-6-quinolyl]but-2-ynamide Formula: C22H18N4O MolecularWeight: 354.40452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)NC(=O)C#CC

InChI

InChI=1S/C22H18N4O/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/h5,7-12,14H,4H2,1-2H3,(H,24,26)(H,25,27)