2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-(2-fluoranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-(2-fluoranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-[2-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-6-[2-fluoro-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-[2-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-[2-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisocarbostyril Formula: C28H32FN3O2 MolecularWeight: 461.570983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)C3=CC4=C(C=C3)C(=O)N(CC4)C5CCN(C5)C6CCC6)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)C3=CC4=C(C=C3)C(=O)N(CC4)[C@H]5CCN(C5)C6CCC6)F

InChI

InChI=1S/C28H32FN3O2/c29-26-17-21(27(33)30-12-1-2-13-30)7-8-24(26)19-6-9-25-20(16-19)10-15-32(28(25)34)23-11-14-31(18-23)22-4-3-5-22/h6-9,16-17,22-23H,1-5,10-15,18H2/t23-/m0/s1