2-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]phenyl]isoindoline-1,3-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1=CC(=NN1CC(COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C22H21N3O4/c1-14-11-15(2)24(23-14)12-17(26)13-29-18-9-7-16(8-10-18)25-21(27)19-5-3-4-6-20(19)22(25)28/h3-11,17,26H,12-13H2,1-2H3