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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=C3)N=CC=C4)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=C3)N=CC=C4)N=C1N5CCNCC5

InChI

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