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

Systemtic Name: 4-chloranyl-5-[4-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O3/c1-18-8-9-19(2)23(14-18)33-17-21(31)16-28-10-12-29(13-11-28)22-15-27-30(25(32)24(22)26)20-6-4-3-5-7-20/h3-9,14-15,21,31H,10-13,16-17H2,1-2H3