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

Systemtic Name: 6-butoxy-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-fluoranyl-phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-butoxy-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-fluoro-phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-butoxy-2-[4-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-3-fluorophenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-butoxy-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-fluorophenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-butoxy-2-[4-[(3R)-3-(dimethylamino)pyrrolidino]-3-fluoro-phenyl]-3,4-dihydroisocarbostyril Formula: C25H32FN3O2 MolecularWeight: 425.538883

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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)N(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C25H32FN3O2/c1-4-5-14-31-21-7-8-22-18(15-21)10-13-29(25(22)30)19-6-9-24(23(26)16-19)28-12-11-20(17-28)27(2)3/h6-9,15-16,20H,4-5,10-14,17H2,1-3H3/t20-/m1/s1