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

Systemtic Name: 4-chloranyl-5-[4-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C26H31ClN4O3 MolecularWeight: 483.00234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)O)C

InChI

InChI=1S/C26H31ClN4O3/c1-18-9-10-19(2)25(20(18)3)34-17-22(32)16-29-11-13-30(14-12-29)23-15-28-31(26(33)24(23)27)21-7-5-4-6-8-21/h4-10,15,22,32H,11-14,16-17H2,1-3H3