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

Systemtic Name: 4-[[2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-4-oxidanylidene-imidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile Openeye Name: 4-[[2-(3-amino-1-piperidyl)-3-but-2-ynyl-4-oxo-imidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile CAS Name: 4-[[2-(3-amino-1-piperidinyl)-3-but-2-ynyl-4-oxo-5-imidazo[4,5-d]pyridazinyl]methyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[[2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile Traditional Name: 4-[[2-(3-aminopiperidino)-3-but-2-ynyl-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=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)C#N)N=C1N5CCCC(C5)N

InChI

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