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

Systemtic Name: N-[4-[(2-chloranyl-6-oxidanyl-phenyl)amino]-3-cyano-quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-(2-chloro-6-hydroxy-anilino)-3-cyano-6-quinolyl]but-2-ynamide CAS Name: N-[4-(2-chloro-6-hydroxyanilino)-3-cyano-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-(2-chloro-6-hydroxyanilino)-3-cyanoquinolin-6-yl]but-2-ynamide Traditional Name: N-[4-(2-chloro-6-hydroxy-anilino)-3-cyano-6-quinolyl]but-2-ynamide Formula: C20H13ClN4O2 MolecularWeight: 376.79582

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=C(C=CC=C3Cl)O

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=C(C=CC=C3Cl)O

InChI

InChI=1S/C20H13ClN4O2/c1-2-4-18(27)24-13-7-8-16-14(9-13)19(12(10-22)11-23-16)25-20-15(21)5-3-6-17(20)26/h3,5-9,11,26H,1H3,(H,23,25)(H,24,27)