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

Systemtic Name: 1-[(2-bromanyl-3-but-2-ynyl-4-oxidanylidene-imidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-4-carbonitrile Openeye Name: 1-[(2-bromo-3-but-2-ynyl-4-oxo-imidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-4-carbonitrile CAS Name: 1-[(2-bromo-3-but-2-ynyl-4-oxo-5-imidazo[4,5-d]pyridazinyl)methyl]-4-isoquinolinecarbonitrile IUPAC Name: 1-[(2-bromo-3-but-2-ynyl-4-oxoimidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-4-carbonitrile Traditional Name: 1-[(2-bromo-3-but-2-ynyl-4-keto-imidazo[4,5-d]pyridazin-5-yl)methyl]isoquinoline-4-carbonitrile Formula: C20H13BrN6O MolecularWeight: 433.26082

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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=C1Br

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=C(C4=CC=CC=C43)C#N)N=C1Br

InChI

InChI=1S/C20H13BrN6O/c1-2-3-8-26-18-16(25-20(26)21)11-24-27(19(18)28)12-17-15-7-5-4-6-14(15)13(9-22)10-23-17/h4-7,10-11H,8,12H2,1H3