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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(2-methylindazol-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(2-methylindazol-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(2-methyl-3-indazolyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(2-methylindazol-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(2-methylindazol-3-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=CC=CC4=NN3C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=C4C=CC=CC4=NN3C)N=C1N5CCCC(C5)N

InChI

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