2-[2-fluoranyl-5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol

Systemtic Name: 2-[2-fluoranyl-5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[2-fluoro-5-[[(3R)-3-(5-isoquinolylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol CAS Name: 2-[2-fluoro-5-[[(3R)-3-(5-isoquinolinylamino)-1-pyrrolidinyl]methyl]phenoxy]ethanol IUPAC Name: 2-[2-fluoro-5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[2-fluoro-5-[[(3R)-3-(5-isoquinolylamino)pyrrolidino]methyl]phenoxy]ethanol Formula: C22H24FN3O2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=CC=CC3=C2C=CN=C3)CC4=CC(=C(C=C4)F)OCCO

Isomeric SMILES

C1CN(C[C@@H]1NC2=CC=CC3=C2C=CN=C3)CC4=CC(=C(C=C4)F)OCCO

InChI

InChI=1S/C22H24FN3O2/c23-20-5-4-16(12-22(20)28-11-10-27)14-26-9-7-18(15-26)25-21-3-1-2-17-13-24-8-6-19(17)21/h1-6,8,12-13,18,25,27H,7,9-11,14-15H2/t18-/m1/s1