6-[3,4-bis(fluoranyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-[3,4-bis(fluoranyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 6-(3,4-difluorophenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6-(3,4-difluorophenyl)-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-(3,4-difluorophenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6-(3,4-difluorophenyl)-2-(2-pyrrolidinoethyl)-3,4-dihydroisocarbostyril Formula: C21H22F2N2O MolecularWeight: 356.408986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCC3=C(C2=O)C=CC(=C3)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CCN(C1)CCN2CCC3=C(C2=O)C=CC(=C3)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H22F2N2O/c22-19-6-4-16(14-20(19)23)15-3-5-18-17(13-15)7-10-25(21(18)26)12-11-24-8-1-2-9-24/h3-6,13-14H,1-2,7-12H2