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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-5-(1,2-benzoxazol-3-ylmethyl)-3-but-2-ynyl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-5-(1,2-benzoxazol-3-ylmethyl)-3-but-2-ynyl-imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-5-(1,2-benzoxazol-3-ylmethyl)-3-but-2-ynyl-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-5-(1,2-benzoxazol-3-ylmethyl)-3-but-2-ynylimidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-(indoxazen-3-ylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NOC4=CC=CC=C43)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NOC4=CC=CC=C43)N=C1N5CCCC(C5)N

InChI

InChI=1S/C22H23N7O2/c1-2-3-11-28-20-17(25-22(28)27-10-6-7-15(23)13-27)12-24-29(21(20)30)14-18-16-8-4-5-9-19(16)31-26-18/h4-5,8-9,12,15H,6-7,10-11,13-14,23H2,1H3