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

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(4-methylpiperazin-1-yl)phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(4-methylpiperazin-1-yl)phenyl]-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(4-methyl-1-piperazinyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(4-methylpiperazin-1-yl)phenyl]-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(4-methylpiperazino)phenyl]-2-fluoro-but-2-enamide Formula: C24H25BrFN5O MolecularWeight: 498.390603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C)Br)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C)Br)/F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C24H25BrFN5O/c1-15(17-4-3-16-7-8-28-23(27)19(16)13-17)22(26)24(32)29-21-6-5-18(14-20(21)25)31-11-9-30(2)10-12-31/h3-8,13-14H,9-12H2,1-2H3,(H2,27,28)(H,29,32)/b22-15-