3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol

Systemtic Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol Openeye Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol CAS Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-piperazinyl]-1-cyclopentyl-1-phenylpropane-1,2-diol IUPAC Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-1-cyclopentyl-1-phenylpropane-1,2-diol Traditional Name: 1-cyclopentyl-3-(4-homopiperonylpiperazino)-1-phenyl-propane-1,2-diol Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(CN3CCN(CC3)CCC4=CC5=C(C=C4)OCO5)O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(CN3CCN(CC3)CCC4=CC5=C(C=C4)OCO5)O)O

InChI

InChI=1S/C27H36N2O4/c30-26(27(31,23-8-4-5-9-23)22-6-2-1-3-7-22)19-29-16-14-28(15-17-29)13-12-21-10-11-24-25(18-21)33-20-32-24/h1-3,6-7,10-11,18,23,26,30-31H,4-5,8-9,12-17,19-20H2