2-[3-fluoranyl-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]phenyl]-6-[(3R)-3-oxidanylbut-1-ynyl]isoquinolin-1-one

Systemtic Name: 2-[3-fluoranyl-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]phenyl]-6-[(3R)-3-oxidanylbut-1-ynyl]isoquinolin-1-one Openeye Name: 2-[3-fluoro-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]phenyl]-6-[(3R)-3-hydroxybut-1-ynyl]isoquinolin-1-one CAS Name: 2-[3-fluoro-4-[(3R)-3-(1-pyrrolidinyl)-1-pyrrolidinyl]phenyl]-6-[(3R)-3-hydroxybut-1-ynyl]-1-isoquinolinone IUPAC Name: 2-[3-fluoro-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]phenyl]-6-[(3R)-3-hydroxybut-1-ynyl]isoquinolin-1-one Traditional Name: 2-[3-fluoro-4-[(3R)-3-pyrrolidinopyrrolidino]phenyl]-6-[(3R)-3-hydroxybut-1-ynyl]isocarbostyril Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=C(C=C1)C(=O)N(C=C2)C3=CC(=C(C=C3)N4CCC(C4)N5CCCC5)F)O

Isomeric SMILES

C[C@H](C#CC1=CC2=C(C=C1)C(=O)N(C=C2)C3=CC(=C(C=C3)N4CC[C@H](C4)N5CCCC5)F)O

InChI

InChI=1S/C27H28FN3O2/c1-19(32)4-5-20-6-8-24-21(16-20)10-15-31(27(24)33)22-7-9-26(25(28)17-22)30-14-11-23(18-30)29-12-2-3-13-29/h6-10,15-17,19,23,32H,2-3,11-14,18H2,1H3/t19-,23-/m1/s1