N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-(4-methylpiperazin-1-yl)quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-(4-methylpiperazin-1-yl)quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-(4-methylpiperazin-1-yl)-6-quinolyl]but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-(4-methyl-1-piperazinyl)-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-(4-methylpiperazin-1-yl)quinolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-(4-methylpiperazino)-6-quinolyl]but-2-ynamide Formula: C25H22ClFN6O MolecularWeight: 476.933183

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

Isomeric SMILES

CC#CC(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

InChI

InChI=1S/C25H22ClFN6O/c1-3-4-24(34)31-22-12-18-21(13-23(22)33-9-7-32(2)8-10-33)29-15-16(14-28)25(18)30-17-5-6-20(27)19(26)11-17/h5-6,11-13,15H,7-10H2,1-2H3,(H,29,30)(H,31,34)