2-[(3-butan-2-yl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(3-butan-2-yl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-oxo-2-piperazin-1-yl-3-sec-butyl-imidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile CAS Name: 2-[[3-butan-2-yl-4-oxo-2-(1-piperazinyl)-5-imidazo[4,5-d]pyridazinyl]methyl]benzonitrile IUPAC Name: 2-[(3-butan-2-yl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile Traditional Name: 2-[(4-keto-2-piperazino-3-sec-butyl-imidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=NN(C2=O)CC3=CC=CC=C3C#N)N=C1N4CCNCC4

Isomeric SMILES

CCC(C)N1C2=C(C=NN(C2=O)CC3=CC=CC=C3C#N)N=C1N4CCNCC4

InChI

InChI=1S/C21H25N7O/c1-3-15(2)28-19-18(25-21(28)26-10-8-23-9-11-26)13-24-27(20(19)29)14-17-7-5-4-6-16(17)12-22/h4-7,13,15,23H,3,8-11,14H2,1-2H3