2-(4-tert-butylphenoxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazino]ethanone Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H32N4O2/c1-20-5-7-21(8-6-20)24-13-14-25(29-28-24)30-15-17-31(18-16-30)26(32)19-33-23-11-9-22(10-12-23)27(2,3)4/h5-14H,15-19H2,1-4H3