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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(3-methyl-1-isoquinolyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(3-methyl-1-isoquinolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-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=C1N5CCCC(C5)N

Isomeric SMILES

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

InChI

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