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

Systemtic Name: 2-[(3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1,4-dicarbonitrile Openeye Name: 2-[(3-but-2-ynyl-4-oxo-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1,4-dicarbonitrile CAS Name: 2-[[3-but-2-ynyl-4-oxo-2-(1-piperazinyl)-5-imidazo[4,5-d]pyridazinyl]methyl]naphthalene-1,4-dicarbonitrile IUPAC Name: 2-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1,4-dicarbonitrile Traditional Name: 2-[(3-but-2-ynyl-4-keto-2-piperazino-imidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1,4-dicarbonitrile Formula: C26H22N8O MolecularWeight: 462.50588

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=C(C4=CC=CC=C4C(=C3)C#N)C#N)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=C(C4=CC=CC=C4C(=C3)C#N)C#N)N=C1N5CCNCC5

InChI

InChI=1S/C26H22N8O/c1-2-3-10-33-24-23(31-26(33)32-11-8-29-9-12-32)16-30-34(25(24)35)17-19-13-18(14-27)20-6-4-5-7-21(20)22(19)15-28/h4-7,13,16,29H,8-12,17H2,1H3