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

Systemtic Name: N-[3-cyano-2-[(3-methylphenyl)amino]quinolin-6-yl]but-2-ynamide Openeye Name: N-[3-cyano-2-(3-methylanilino)-6-quinolyl]but-2-ynamide CAS Name: N-[3-cyano-2-(3-methylanilino)-6-quinolinyl]-2-butynamide IUPAC Name: N-[3-cyano-2-(3-methylanilino)quinolin-6-yl]but-2-ynamide Traditional Name: N-[3-cyano-2-(m-toluidino)-6-quinolyl]but-2-ynamide Formula: C21H16N4O MolecularWeight: 340.37794

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C=C1)N=C(C(=C2)C#N)NC3=CC=CC(=C3)C

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C=C1)N=C(C(=C2)C#N)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H16N4O/c1-3-5-20(26)23-18-8-9-19-15(12-18)11-16(13-22)21(25-19)24-17-7-4-6-14(2)10-17/h4,6-12H,1-2H3,(H,23,26)(H,24,25)