6-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 6-amino-4-(3-chloro-4-fluoro-anilino)-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile CAS Name: 6-amino-4-(3-chloro-4-fluoroanilino)-7-(4-methyl-1-piperazinyl)-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-(3-chloro-4-fluoroanilino)-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile Traditional Name: 6-amino-4-(3-chloro-4-fluoro-anilino)-7-(4-methylpiperazino)quinoline-3-carbonitrile Formula: C21H20ClFN6 MolecularWeight: 410.875103

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N)N

InChI

InChI=1S/C21H20ClFN6/c1-28-4-6-29(7-5-28)20-10-19-15(9-18(20)25)21(13(11-24)12-26-19)27-14-2-3-17(23)16(22)8-14/h2-3,8-10,12H,4-7,25H2,1H3,(H,26,27)