2-(4-chloranyl-3-methyl-phenoxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazino]propan-1-one Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C(C)OC4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C(C)OC4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C25H27ClN4O2/c1-17-4-6-20(7-5-17)23-10-11-24(28-27-23)29-12-14-30(15-13-29)25(31)19(3)32-21-8-9-22(26)18(2)16-21/h4-11,16,19H,12-15H2,1-3H3