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

Systemtic Name: 2-[4-[[(Z)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-but-2-enoyl]amino]-3-bromanyl-phenyl]benzamide Openeye Name: 2-[4-[[(Z)-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enoyl]amino]-3-bromo-phenyl]benzamide CAS Name: 2-[4-[[(Z)-3-(1-amino-7-isoquinolinyl)-2-fluoro-1-oxobut-2-enyl]amino]-3-bromophenyl]benzamide IUPAC Name: 2-[4-[[(Z)-3-(1-aminoisoquinolin-7-yl)-2-fluorobut-2-enoyl]amino]-3-bromophenyl]benzamide Traditional Name: 2-[4-[[(Z)-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enoyl]amino]-3-bromo-phenyl]benzamide Formula: C26H20BrFN4O2 MolecularWeight: 519.365003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrFN4O2/c1-14(16-7-6-15-10-11-31-24(29)20(15)12-16)23(28)26(34)32-22-9-8-17(13-21(22)27)18-4-2-3-5-19(18)25(30)33/h2-13H,1H3,(H2,29,31)(H2,30,33)(H,32,34)/b23-14-