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

Systemtic Name: 1-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxidanylidene-imidazo[4,5-d]pyridazin-5-yl]methyl]isoquinoline-4-carbonitrile Openeye Name: 1-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxo-imidazo[4,5-d]pyridazin-5-yl]methyl]isoquinoline-4-carbonitrile CAS Name: 1-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxo-5-imidazo[4,5-d]pyridazinyl]methyl]-4-isoquinolinecarbonitrile IUPAC Name: 1-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]isoquinoline-4-carbonitrile Traditional Name: 1-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-keto-imidazo[4,5-d]pyridazin-5-yl]methyl]isoquinoline-4-carbonitrile Formula: C25H24N8O MolecularWeight: 452.51106

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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=C1N5CCCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=C(C4=CC=CC=C43)C#N)N=C1N5CCCNCC5

InChI

InChI=1S/C25H24N8O/c1-2-3-12-32-23-21(30-25(32)31-11-6-9-27-10-13-31)16-29-33(24(23)34)17-22-20-8-5-4-7-19(20)18(14-26)15-28-22/h4-5,7-8,15-16,27H,6,9-13,17H2,1H3