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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(1-methylindazol-4-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(1-methylindazol-4-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(1-methyl-4-indazolyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(1-methylindazol-4-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(1-methylindazol-4-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C23H26N8O MolecularWeight: 430.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=C4C=NN(C4=CC=C3)C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=C4C=NN(C4=CC=C3)C)N=C1N5CCCC(C5)N

InChI

InChI=1S/C23H26N8O/c1-3-4-11-30-21-19(27-23(30)29-10-6-8-17(24)15-29)13-26-31(22(21)32)14-16-7-5-9-20-18(16)12-25-28(20)2/h5,7,9,12-13,17H,6,8,10-11,14-15,24H2,1-2H3