4-[4-[[(E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-but-2-enoyl]amino]phenyl]pyridine-2-carboxamide

Systemtic Name: 4-[4-[[(E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-but-2-enoyl]amino]phenyl]pyridine-2-carboxamide Openeye Name: 4-[4-[[(E)-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enoyl]amino]phenyl]pyridine-2-carboxamide CAS Name: 4-[4-[[(E)-3-(1-amino-7-isoquinolinyl)-2-fluoro-1-oxobut-2-enyl]amino]phenyl]-2-pyridinecarboxamide IUPAC Name: 4-[4-[[(E)-3-(1-aminoisoquinolin-7-yl)-2-fluorobut-2-enoyl]amino]phenyl]pyridine-2-carboxamide Traditional Name: 4-[4-[[(E)-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enoyl]amino]phenyl]picolinamide Formula: C25H20FN5O2 MolecularWeight: 441.457003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=CC=C(C=C1)C2=CC(=NC=C2)C(=O)N)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(/C(=O)NC1=CC=C(C=C1)C2=CC(=NC=C2)C(=O)N)\F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C25H20FN5O2/c1-14(17-3-2-16-8-11-30-23(27)20(16)12-17)22(26)25(33)31-19-6-4-15(5-7-19)18-9-10-29-21(13-18)24(28)32/h2-13H,1H3,(H2,27,30)(H2,28,32)(H,31,33)/b22-14+