7-[2-(12-azanyldodecylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one

Systemtic Name: 7-[2-(12-azanyldodecylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one Openeye Name: 7-[2-(12-aminododecylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one CAS Name: 7-[2-(12-aminododecylamino)-5-methyl-7-imidazo[1,5-b]pyridazinyl]-1-phenyl-1-heptanone IUPAC Name: 7-[2-(12-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one Traditional Name: 7-[2-(12-aminododecylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one Formula: C32H49N5O MolecularWeight: 519.76436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCCCCCCCN

Isomeric SMILES

CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCCCCCCCN

InChI

InChI=1S/C32H49N5O/c1-27-29-23-24-31(34-26-18-11-7-5-3-2-4-6-10-17-25-33)36-37(29)32(35-27)22-16-9-8-15-21-30(38)28-19-13-12-14-20-28/h12-14,19-20,23-24H,2-11,15-18,21-22,25-26,33H2,1H3,(H,34,36)