1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-4-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-4-oxidanyl-phenyl]ethanone Openeye Name: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]-4-hydroxy-phenyl]ethanone CAS Name: 1-[2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-hydroxyphenyl]ethanone IUPAC Name: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]ethanone Traditional Name: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazino]-2-hydroxy-propoxy]-4-hydroxy-phenyl]ethanone Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=C(C=CC(=C3)O)C(=O)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=C(C=CC(=C3)O)C(=O)C)O)C

InChI

InChI=1S/C23H30N2O4/c1-16-4-5-19(12-17(16)2)25-10-8-24(9-11-25)14-21(28)15-29-23-13-20(27)6-7-22(23)18(3)26/h4-7,12-13,21,27-28H,8-11,14-15H2,1-3H3