3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol Openeye Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-cyclopentyl-1-phenyl-propane-1,2-diol CAS Name: 3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-1-cyclopentyl-1-phenylpropane-1,2-diol IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-cyclopentyl-1-phenylpropane-1,2-diol Traditional Name: 3-[4-(4-chlorobenzyl)piperazino]-1-cyclopentyl-1-phenyl-propane-1,2-diol Formula: C25H33ClN2O2 MolecularWeight: 428.99472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(CN3CCN(CC3)CC4=CC=C(C=C4)Cl)O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(CN3CCN(CC3)CC4=CC=C(C=C4)Cl)O)O

InChI

InChI=1S/C25H33ClN2O2/c26-23-12-10-20(11-13-23)18-27-14-16-28(17-15-27)19-24(29)25(30,22-8-4-5-9-22)21-6-2-1-3-7-21/h1-3,6-7,10-13,22,24,29-30H,4-5,8-9,14-19H2