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

Systemtic Name: 4-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxidanylidene-imidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile Openeye Name: 4-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxo-imidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile CAS Name: 4-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxo-5-imidazo[4,5-d]pyridazinyl]methyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile Traditional Name: 4-[[3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-keto-imidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile Formula: C26H25N7O MolecularWeight: 451.523

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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=C1N5CCCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)C#N)N=C1N5CCCNCC5

InChI

InChI=1S/C26H25N7O/c1-2-3-14-32-24-23(30-26(32)31-13-6-11-28-12-15-31)17-29-33(25(24)34)18-20-10-9-19(16-27)21-7-4-5-8-22(20)21/h4-5,7-10,17,28H,6,11-15,18H2,1H3