4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(1H-pyrazol-5-ylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile Formula: C20H14ClFN6 MolecularWeight: 392.816763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=CC=NN4)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=CC=NN4)Cl)F

InChI

InChI=1S/C20H14ClFN6/c21-17-8-14(1-3-18(17)22)27-20-12(9-23)10-25-19-4-2-13(7-16(19)20)24-11-15-5-6-26-28-15/h1-8,10,24H,11H2,(H,25,27)(H,26,28)