3-[2-[[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]amino]phenyl]-5,6-dihydro-1H-pyridazin-4-one

Systemtic Name: 3-[2-[[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]amino]phenyl]-5,6-dihydro-1H-pyridazin-4-one Openeye Name: 3-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]amino]phenyl]-5,6-dihydro-1H-pyridazin-4-one CAS Name: 3-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]phenyl]-5,6-dihydro-1H-pyridazin-4-one IUPAC Name: 3-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]phenyl]-5,6-dihydro-1H-pyridazin-4-one Traditional Name: 3-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]amino]phenyl]-5,6-dihydro-1H-pyridazin-4-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CNC2=CC=CC=C2C3=NNCCC3=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(CNC2=CC=CC=C2C3=NNCCC3=O)O)C

InChI

InChI=1S/C21H25N3O3/c1-14-9-15(2)11-17(10-14)27-13-16(25)12-22-19-6-4-3-5-18(19)21-20(26)7-8-23-24-21/h3-6,9-11,16,22-23,25H,7-8,12-13H2,1-2H3