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

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(1-carbamimidoylpiperidin-4-yl)phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(1-carbamimidoyl-4-piperidyl)phenyl]-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(1-carbamimidoyl-4-piperidinyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(1-carbamimidoylpiperidin-4-yl)phenyl]-2-fluorobut-2-enamide Traditional Name: (Z)-N-[4-(1-amidino-4-piperidyl)-2-bromo-phenyl]-3-(1-amino-7-isoquinolyl)-2-fluoro-but-2-enamide Formula: C25H26BrFN6O MolecularWeight: 525.415943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)C2CCN(CC2)C(=N)N)Br)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)C2CCN(CC2)C(=N)N)Br)/F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C25H26BrFN6O/c1-14(17-3-2-16-6-9-31-23(28)19(16)12-17)22(27)24(34)32-21-5-4-18(13-20(21)26)15-7-10-33(11-8-15)25(29)30/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H2,28,31)(H3,29,30)(H,32,34)/b22-14-