4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-fluoranyl-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-fluoranyl-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-fluoro-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-fluoro-6-[3-(1-pyrrolidinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-fluoro-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-fluoro-6-(3-pyrrolidinopropoxy)quinoline-3-carbonitrile Formula: C27H26ClFN6OS MolecularWeight: 537.051343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCCN5CCCC5)F)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCCN5CCCC5)F)C#N)Cl

InChI

InChI=1S/C27H26ClFN6OS/c1-34-11-7-31-27(34)37-25-6-5-19(13-21(25)28)33-26-18(16-30)17-32-23-15-22(29)24(14-20(23)26)36-12-4-10-35-8-2-3-9-35/h5-7,11,13-15,17H,2-4,8-10,12H2,1H3,(H,32,33)