2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-2-yl]ethanol Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(C[C@@H]2CCO)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C24H31N5O2/c1-2-31-23-8-6-20(7-9-23)17-28-15-14-27(18-21(28)10-16-30)19-22-5-3-13-29(22)24-25-11-4-12-26-24/h3-9,11-13,21,30H,2,10,14-19H2,1H3/t21-/m0/s1