(2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-[4-(2-pyridyl)piperazino]propan-2-ol Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](CN2CCN(CC2)C3=CC=CC=N3)O)C(C)C

InChI

InChI=1S/C22H31N3O2/c1-17(2)21-8-7-20(14-18(21)3)27-16-19(26)15-24-10-12-25(13-11-24)22-6-4-5-9-23-22/h4-9,14,17,19,26H,10-13,15-16H2,1-3H3/t19-/m0/s1