tert-butyl N-[1-(1-but-2-ynyl-7-oxidanylidene-6H-imidazo[4,5-d]pyridazin-2-yl)piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(1-but-2-ynyl-7-oxidanylidene-6H-imidazo[4,5-d]pyridazin-2-yl)piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(1-but-2-ynyl-7-oxo-6H-imidazo[4,5-d]pyridazin-2-yl)-3-piperidyl]carbamate CAS Name: N-[1-(1-but-2-ynyl-7-oxo-6H-imidazo[4,5-d]pyridazin-2-yl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(1-but-2-ynyl-7-oxo-6H-imidazo[4,5-d]pyridazin-2-yl)piperidin-3-yl]carbamate Traditional Name: N-[1-(1-but-2-ynyl-7-keto-6H-imidazo[4,5-d]pyridazin-2-yl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NNC2=O)N=C1N3CCCC(C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(C=NNC2=O)N=C1N3CCCC(C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N6O3/c1-5-6-10-25-15-14(11-20-23-16(15)26)22-17(25)24-9-7-8-13(12-24)21-18(27)28-19(2,3)4/h11,13H,7-10,12H2,1-4H3,(H,21,27)(H,23,26)