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

Systemtic Name: 3-but-1-ynyl-5-(isoquinolin-1-ylmethyl)-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-1-ynyl-5-(1-isoquinolylmethyl)-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-1-ynyl-5-(1-isoquinolinylmethyl)-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-1-ynyl-5-(isoquinolin-1-ylmethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-1-ynyl-5-(1-isoquinolylmethyl)-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C23H23N7O MolecularWeight: 413.47502

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CN1C2=C(C=NN(C2=O)CC3=NC=CC4=CC=CC=C43)N=C1N5CCNCC5

Isomeric SMILES

CCC#CN1C2=C(C=NN(C2=O)CC3=NC=CC4=CC=CC=C43)N=C1N5CCNCC5

InChI

InChI=1S/C23H23N7O/c1-2-3-12-29-21-19(27-23(29)28-13-10-24-11-14-28)15-26-30(22(21)31)16-20-18-7-5-4-6-17(18)8-9-25-20/h4-9,15,24H,2,10-11,13-14,16H2,1H3