6-butoxy-2-[3-fluoranyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-butoxy-2-[3-fluoranyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-butoxy-2-[3-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-butoxy-2-[3-fluoro-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-butoxy-2-[3-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-butoxy-2-[3-fluoro-4-[(3R)-3-(methylamino)pyrrolidino]phenyl]-3,4-dihydroisocarbostyril Formula: C24H30FN3O2 MolecularWeight: 411.512303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=CC(=C(C=C3)N4CCC(C4)NC)F

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=CC(=C(C=C3)N4CC[C@H](C4)NC)F

InChI

InChI=1S/C24H30FN3O2/c1-3-4-13-30-20-6-7-21-17(14-20)9-12-28(24(21)29)19-5-8-23(22(25)15-19)27-11-10-18(16-27)26-2/h5-8,14-15,18,26H,3-4,9-13,16H2,1-2H3/t18-/m1/s1