1-(tert-butylamino)-3-[2-[2-(1H-pyrazol-4-yl)ethynyl]phenoxy]propan-2-ol

Systemtic Name: 1-(tert-butylamino)-3-[2-[2-(1H-pyrazol-4-yl)ethynyl]phenoxy]propan-2-ol Openeye Name: 1-(tert-butylamino)-3-[2-[2-(1H-pyrazol-4-yl)ethynyl]phenoxy]propan-2-ol CAS Name: 1-(tert-butylamino)-3-[2-[2-(1H-pyrazol-4-yl)ethynyl]phenoxy]-2-propanol IUPAC Name: 1-(tert-butylamino)-3-[2-[2-(1H-pyrazol-4-yl)ethynyl]phenoxy]propan-2-ol Traditional Name: 1-(tert-butylamino)-3-[2-[2-(1H-pyrazol-4-yl)ethynyl]phenoxy]propan-2-ol Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CNN=C2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CNN=C2)O

InChI

InChI=1S/C18H23N3O2/c1-18(2,3)19-12-16(22)13-23-17-7-5-4-6-15(17)9-8-14-10-20-21-11-14/h4-7,10-11,16,19,22H,12-13H2,1-3H3,(H,20,21)