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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-7-methyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-7-methyl-5-[(3-methyl-1-isoquinolyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-7-methyl-5-[(3-methyl-1-isoquinolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-7-methyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-7-methyl-5-[(3-methyl-1-isoquinolyl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C26H29N7O MolecularWeight: 455.55476

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=NN(C2=O)CC3=NC(=CC4=CC=CC=C43)C)C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C(=NN(C2=O)CC3=NC(=CC4=CC=CC=C43)C)C)N=C1N5CCCC(C5)N

InChI

InChI=1S/C26H29N7O/c1-4-5-13-32-24-23(29-26(32)31-12-8-10-20(27)15-31)18(3)30-33(25(24)34)16-22-21-11-7-6-9-19(21)14-17(2)28-22/h6-7,9,11,14,20H,8,10,12-13,15-16,27H2,1-3H3