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

Systemtic Name: (3S,4S)-1-[(4-fluoranyl-2-methoxy-phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-[(4-fluoro-2-methoxy-phenyl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-[(4-fluoro-2-methoxyphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-[(4-fluoro-2-methoxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-(4-fluoro-2-methoxy-benzyl)-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)CN2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)F)CN2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H27FN4O2/c1-28-20-12-17(22)6-5-16(20)13-24-14-18(19(27)15-24)25-8-10-26(11-9-25)21-4-2-3-7-23-21/h2-7,12,18-19,27H,8-11,13-15H2,1H3/t18-,19-/m0/s1