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

Systemtic Name: N-[3-cyano-4-[(3-methoxyphenyl)amino]quinolin-6-yl]but-2-ynamide Openeye Name: N-[3-cyano-4-(3-methoxyanilino)-6-quinolyl]but-2-ynamide CAS Name: N-[3-cyano-4-(3-methoxyanilino)-6-quinolinyl]-2-butynamide IUPAC Name: N-[3-cyano-4-(3-methoxyanilino)quinolin-6-yl]but-2-ynamide Traditional Name: N-[3-cyano-4-(m-anisidino)-6-quinolyl]but-2-ynamide Formula: C21H16N4O2 MolecularWeight: 356.37734

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O2/c1-3-5-20(26)24-16-8-9-19-18(11-16)21(14(12-22)13-23-19)25-15-6-4-7-17(10-15)27-2/h4,6-11,13H,1-2H3,(H,23,25)(H,24,26)