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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=C(C4=CC=CC=C43)C#N)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=C(C4=CC=CC=C43)C#N)N=C1N5CCNCC5

InChI

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