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

Systemtic Name: 3-[(3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-1-carbonitrile Openeye Name: 3-[(3-but-2-ynyl-4-oxo-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-1-carbonitrile CAS Name: 3-[[3-but-2-ynyl-4-oxo-2-(1-piperazinyl)-5-imidazo[4,5-d]pyridazinyl]methyl]-1-isoquinolinecarbonitrile IUPAC Name: 3-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-1-carbonitrile Traditional Name: 3-[(3-but-2-ynyl-4-keto-2-piperazino-imidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-1-carbonitrile Formula: C24H22N8O MolecularWeight: 438.48448

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C(=N3)C#N)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C(=N3)C#N)N=C1N5CCNCC5

InChI

InChI=1S/C24H22N8O/c1-2-3-10-31-22-21(29-24(31)30-11-8-26-9-12-30)15-27-32(23(22)33)16-18-13-17-6-4-5-7-19(17)20(14-25)28-18/h4-7,13,15,26H,8-12,16H2,1H3