2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(8-methoxyquinolin-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(8-methoxyquinolin-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(8-methoxy-5-quinolyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(8-methoxy-5-quinolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(8-methoxyquinolin-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(8-methoxy-5-quinolyl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C25H27N7O2 MolecularWeight: 457.52758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=C4C=CC=NC4=C(C=C3)OC)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=C4C=CC=NC4=C(C=C3)OC)N=C1N5CCCC(C5)N

InChI

InChI=1S/C25H27N7O2/c1-3-4-13-31-23-20(29-25(31)30-12-6-7-18(26)16-30)14-28-32(24(23)33)15-17-9-10-21(34-2)22-19(17)8-5-11-27-22/h5,8-11,14,18H,6-7,12-13,15-16,26H2,1-2H3