3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-7-fluoranyl-1-phenethyl-quinolin-2-one

Systemtic Name: 3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-7-fluoranyl-1-phenethyl-quinolin-2-one Openeye Name: 3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-7-fluoro-1-phenethyl-quinolin-2-one CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-7-fluoro-1-phenethyl-2-quinolinone IUPAC Name: 3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-7-fluoro-1-phenethylquinolin-2-one Traditional Name: 3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-7-fluoro-1-phenethyl-carbostyril Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNCC3=CC4=C(C=C(C=C4)F)N(C3=O)CCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNCC3=CC4=C(C=C(C=C4)F)N(C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H25FN2O3/c28-22-11-10-20-14-21(16-29-17-23-18-32-25-8-4-5-9-26(25)33-23)27(31)30(24(20)15-22)13-12-19-6-2-1-3-7-19/h1-11,14-15,23,29H,12-13,16-18H2