4-chloranyl-2-phenyl-5-[4-[2-(2,4,6-trimethylphenoxy)ethanoyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[2-(2,4,6-trimethylphenoxy)ethanoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[1-oxo-2-(2,4,6-trimethylphenoxy)ethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazino]pyridazin-3-one Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C25H27ClN4O3/c1-17-13-18(2)24(19(3)14-17)33-16-22(31)29-11-9-28(10-12-29)21-15-27-30(25(32)23(21)26)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3