(2S)-1-(4-propan-2-ylphenoxy)-3-(4-quinoxalin-2-ylpiperidin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-propan-2-ylphenoxy)-3-(4-quinoxalin-2-ylpiperidin-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-isopropylphenoxy)-3-(4-quinoxalin-2-yl-1-piperidyl)propan-2-ol CAS Name: (2S)-1-(4-propan-2-ylphenoxy)-3-[4-(2-quinoxalinyl)-1-piperidinyl]-2-propanol IUPAC Name: (2S)-1-(4-propan-2-ylphenoxy)-3-(4-quinoxalin-2-ylpiperidin-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-isopropylphenoxy)-3-(4-quinoxalin-2-ylpiperidino)propan-2-ol Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C3=NC4=CC=CC=C4N=C3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC[C@H](CN2CCC(CC2)C3=NC4=CC=CC=C4N=C3)O

InChI

InChI=1S/C25H31N3O2/c1-18(2)19-7-9-22(10-8-19)30-17-21(29)16-28-13-11-20(12-14-28)25-15-26-23-5-3-4-6-24(23)27-25/h3-10,15,18,20-21,29H,11-14,16-17H2,1-2H3/t21-/m0/s1