(2S)-1-[2-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]-3-(1-piperidyl)propan-2-ol CAS Name: (2S)-1-[2-[[methyl(2-pyrazinylmethyl)amino]methyl]phenoxy]-3-(1-piperidinyl)-2-propanol IUPAC Name: (2S)-1-[2-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol Traditional Name: (2S)-1-[2-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]-3-piperidino-propan-2-ol Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OCC(CN2CCCCC2)O)CC3=NC=CN=C3

Isomeric SMILES

CN(CC1=CC=CC=C1OC[C@H](CN2CCCCC2)O)CC3=NC=CN=C3

InChI

InChI=1S/C21H30N4O2/c1-24(15-19-13-22-9-10-23-19)14-18-7-3-4-8-21(18)27-17-20(26)16-25-11-5-2-6-12-25/h3-4,7-10,13,20,26H,2,5-6,11-12,14-17H2,1H3/t20-/m0/s1