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

Systemtic Name: 4-[(3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1-carbonitrile Openeye Name: 4-[(3-but-2-ynyl-4-oxo-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1-carbonitrile CAS Name: 4-[[3-but-2-ynyl-4-oxo-2-(1-piperazinyl)-5-imidazo[4,5-d]pyridazinyl]methyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1-carbonitrile Traditional Name: 4-[(3-but-2-ynyl-4-keto-2-piperazino-imidazo[4,5-d]pyridazin-5-yl)methyl]naphthalene-1-carbonitrile Formula: C25H23N7O MolecularWeight: 437.49642

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)C#N)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)C#N)N=C1N5CCNCC5

InChI

InChI=1S/C25H23N7O/c1-2-3-12-31-23-22(29-25(31)30-13-10-27-11-14-30)16-28-32(24(23)33)17-19-9-8-18(15-26)20-6-4-5-7-21(19)20/h4-9,16,27H,10-14,17H2,1H3