(3S,4S)-1-[(4-phenylmethoxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-[(4-phenylmethoxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-[(4-benzyloxyphenyl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-[(4-phenylmethoxyphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-[(4-phenylmethoxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-(4-benzoxybenzyl)-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CN(CC2O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1[C@H]2CN(C[C@@H]2O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H32N4O2/c32-26-20-29(18-22-9-11-24(12-10-22)33-21-23-6-2-1-3-7-23)19-25(26)30-14-16-31(17-15-30)27-8-4-5-13-28-27/h1-13,25-26,32H,14-21H2/t25-,26-/m0/s1