(Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-2-fluoranyl-but-2-enamide

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-fluorobut-2-enamide Traditional Name: (Z)-N-[4-[(1-acetimidoyl-4-piperidyl)oxy]-2-bromo-phenyl]-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enamide Formula: C26H27BrFN5O2 MolecularWeight: 540.427283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)OC2CCN(CC2)C(=N)C)Br)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)OC2CCN(CC2)C(=N)C)Br)/F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H27BrFN5O2/c1-15(18-4-3-17-7-10-31-25(30)21(17)13-18)24(28)26(34)32-23-6-5-20(14-22(23)27)35-19-8-11-33(12-9-19)16(2)29/h3-7,10,13-14,19,29H,8-9,11-12H2,1-2H3,(H2,30,31)(H,32,34)/b24-15-,29-16?