4-[[2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-7-methyl-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-7-methyl-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-7-methyl-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-7-methyl-4-oxo-5-imidazo[4,5-d]pyridazinyl]methyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[[2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-7-methyl-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile Traditional Name: 4-[[2-(3-aminopiperidino)-3-but-2-ynyl-4-keto-7-methyl-imidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile Formula: C27H27N7O MolecularWeight: 465.54958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N7O/c1-3-4-14-33-25-24(30-27(33)32-13-7-8-21(29)17-32)18(2)31-34(26(25)35)16-20-12-11-19(15-28)22-9-5-6-10-23(20)22/h5-6,9-12,21H,7-8,13-14,16-17,29H2,1-2H3