8-bromanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(2-phenylpyrazol-3-yl)methylamino]quinoline-3-carbonitrile

Systemtic Name: 8-bromanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(2-phenylpyrazol-3-yl)methylamino]quinoline-3-carbonitrile Openeye Name: 8-bromo-4-(3-chloro-4-fluoro-anilino)-6-[(2-phenylpyrazol-3-yl)methylamino]quinoline-3-carbonitrile CAS Name: 8-bromo-4-(3-chloro-4-fluoroanilino)-6-[(2-phenyl-3-pyrazolyl)methylamino]-3-quinolinecarbonitrile IUPAC Name: 8-bromo-4-(3-chloro-4-fluoroanilino)-6-[(2-phenylpyrazol-3-yl)methylamino]quinoline-3-carbonitrile Traditional Name: 8-bromo-4-(3-chloro-4-fluoro-anilino)-6-[(2-phenylpyrazol-3-yl)methylamino]quinoline-3-carbonitrile Formula: C26H17BrClFN6 MolecularWeight: 547.808783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC=N2)CNC3=CC(=C4C(=C3)C(=C(C=N4)C#N)NC5=CC(=C(C=C5)F)Cl)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC=N2)CNC3=CC(=C4C(=C3)C(=C(C=N4)C#N)NC5=CC(=C(C=C5)F)Cl)Br

InChI

InChI=1S/C26H17BrClFN6/c27-22-11-18(31-15-20-8-9-33-35(20)19-4-2-1-3-5-19)10-21-25(16(13-30)14-32-26(21)22)34-17-6-7-24(29)23(28)12-17/h1-12,14,31H,15H2,(H,32,34)