7-[2-(8-azanyloctylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one

Systemtic Name: 7-[2-(8-azanyloctylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one Openeye Name: 7-[2-(8-aminooctylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one CAS Name: 7-[2-(8-aminooctylamino)-5-methyl-7-imidazo[1,5-b]pyridazinyl]-1-phenyl-1-heptanone IUPAC Name: 7-[2-(8-aminooctylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one Traditional Name: 7-[2-(8-aminooctylamino)-5-methyl-imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one Formula: C28H41N5O MolecularWeight: 463.65804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N5O/c1-23-25-19-20-27(30-22-14-7-3-2-6-13-21-29)32-33(25)28(31-23)18-12-5-4-11-17-26(34)24-15-9-8-10-16-24/h8-10,15-16,19-20H,2-7,11-14,17-18,21-22,29H2,1H3,(H,30,32)