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

Systemtic Name: 3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(3-methyl-1-isoquinolyl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(3-methyl-1-isoquinolinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(3-methyl-1-isoquinolyl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C24H25N7O MolecularWeight: 427.5016

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC(=CC4=CC=CC=C43)C)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC(=CC4=CC=CC=C43)C)N=C1N5CCNCC5

InChI

InChI=1S/C24H25N7O/c1-3-4-11-30-22-20(28-24(30)29-12-9-25-10-13-29)15-26-31(23(22)32)16-21-19-8-6-5-7-18(19)14-17(2)27-21/h5-8,14-15,25H,9-13,16H2,1-2H3