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

Systemtic Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C22H22N8O MolecularWeight: 414.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=CC=N4)N=C3)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=CC=N4)N=C3)N=C1N5CCNCC5

InChI

InChI=1S/C22H22N8O/c1-2-3-9-29-20-19(27-22(29)28-10-7-23-8-11-28)14-26-30(21(20)31)15-16-12-18-17(25-13-16)5-4-6-24-18/h4-6,12-14,23H,7-11,15H2,1H3