6-butyl-1-hexadecoxy-3,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-one

Systemtic Name: 6-butyl-1-hexadecoxy-3,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 6-butyl-1-hexadecoxy-3,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-one CAS Name: 6-butyl-1-hexadecoxy-3,5,7-trimethyl-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 6-butyl-1-hexadecoxy-3,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-one Traditional Name: 6-butyl-1-cetyloxy-3,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-one Formula: C29H51N3O2 MolecularWeight: 473.73414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=NN(C(=O)C2=C(N(C(=C21)C)CCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=NN(C(=O)C2=C(N(C(=C21)C)CCCC)C)C

InChI

InChI=1S/C29H51N3O2/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-34-28-26-24(3)32(22-9-7-2)25(4)27(26)29(33)31(5)30-28/h6-23H2,1-5H3