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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-phenacyl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-phenacyl-imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-phenacyl-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-phenacylimidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-phenacyl-imidazo[4,5-d]pyridazin-4-one Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC(=O)C3=CC=CC=C3)N=C1N4CCCC(C4)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC(=O)C3=CC=CC=C3)N=C1N4CCCC(C4)N

InChI

InChI=1S/C22H24N6O2/c1-2-3-12-27-20-18(25-22(27)26-11-7-10-17(23)14-26)13-24-28(21(20)30)15-19(29)16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14-15,23H2,1H3