3-but-2-ynyl-5-[(7-fluoranylquinolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 3-but-2-ynyl-5-[(7-fluoranylquinolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(7-fluoro-2-quinolyl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(7-fluoro-2-quinolinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(7-fluoroquinolin-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(7-fluoro-2-quinolyl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C23H22FN7O MolecularWeight: 431.465483

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=CC(=C4)F)C=C3)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=CC(=C4)F)C=C3)N=C1N5CCNCC5

InChI

InChI=1S/C23H22FN7O/c1-2-3-10-30-21-20(28-23(30)29-11-8-25-9-12-29)14-26-31(22(21)32)15-18-7-5-16-4-6-17(24)13-19(16)27-18/h4-7,13-14,25H,8-12,15H2,1H3