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

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-chlorophenyl)-3-pyridazinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazino]ethanone Formula: C26H29ClN4O2 MolecularWeight: 464.98706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN4O2/c1-26(2,3)20-6-10-22(11-7-20)33-18-25(32)31-16-14-30(15-17-31)24-13-12-23(28-29-24)19-4-8-21(27)9-5-19/h4-13H,14-18H2,1-3H3