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

Systemtic Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(3-methyl-1-isoquinolyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(3-methyl-1-isoquinolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(3-methyl-1-isoquinolyl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C25H27N7O MolecularWeight: 441.52818

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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=C1N5CCCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC(=CC4=CC=CC=C43)C)N=C1N5CCCNCC5

InChI

InChI=1S/C25H27N7O/c1-3-4-13-31-23-21(29-25(31)30-12-7-10-26-11-14-30)16-27-32(24(23)33)17-22-20-9-6-5-8-19(20)15-18(2)28-22/h5-6,8-9,15-16,26H,7,10-14,17H2,1-2H3