2-[(3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]pyridine-3-carbonitrile

Systemtic Name: 2-[(3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]pyridine-3-carbonitrile Openeye Name: 2-[(3-but-2-ynyl-4-oxo-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]pyridine-3-carbonitrile CAS Name: 2-[[3-but-2-ynyl-4-oxo-2-(1-piperazinyl)-5-imidazo[4,5-d]pyridazinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]pyridine-3-carbonitrile Traditional Name: 2-[(3-but-2-ynyl-4-keto-2-piperazino-imidazo[4,5-d]pyridazin-5-yl)methyl]nicotinonitrile Formula: C20H20N8O MolecularWeight: 388.4258

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=C(C=CC=N3)C#N)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=C(C=CC=N3)C#N)N=C1N4CCNCC4

InChI

InChI=1S/C20H20N8O/c1-2-3-9-27-18-16(25-20(27)26-10-7-22-8-11-26)13-24-28(19(18)29)14-17-15(12-21)5-4-6-23-17/h4-6,13,22H,7-11,14H2,1H3