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

Systemtic Name: 2-[4-[[(E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-but-2-enoyl]amino]phenyl]benzamide Openeye Name: 2-[4-[[(E)-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enoyl]amino]phenyl]benzamide CAS Name: 2-[4-[[(E)-3-(1-amino-7-isoquinolinyl)-2-fluoro-1-oxobut-2-enyl]amino]phenyl]benzamide IUPAC Name: 2-[4-[[(E)-3-(1-aminoisoquinolin-7-yl)-2-fluorobut-2-enoyl]amino]phenyl]benzamide Traditional Name: 2-[4-[[(E)-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enoyl]amino]phenyl]benzamide Formula: C26H21FN4O2 MolecularWeight: 440.468943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2C(=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=CC=C2C(=O)N)\F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H21FN4O2/c1-15(18-7-6-17-12-13-30-24(28)22(17)14-18)23(27)26(33)31-19-10-8-16(9-11-19)20-4-2-3-5-21(20)25(29)32/h2-14H,1H3,(H2,28,30)(H2,29,32)(H,31,33)/b23-15+