1-[1-(3-fluorophenyl)-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[1-(3-fluorophenyl)-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Openeye Name: 1-[1-(3-fluorophenyl)-7-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 1-[1-(3-fluorophenyl)-7-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-butanone IUPAC Name: 1-[1-(3-fluorophenyl)-7-(2-oxo-2-pyrrolidin-1-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one Traditional Name: 1-[1-(3-fluorophenyl)-7-(2-keto-2-pyrrolidino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C26H31FN2O3 MolecularWeight: 438.534343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC(=O)N4CCCC4

Isomeric SMILES

CC(C)CC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC(=O)N4CCCC4

InChI

InChI=1S/C26H31FN2O3/c1-18(2)14-24(30)29-13-10-19-8-9-22(32-17-25(31)28-11-3-4-12-28)16-23(19)26(29)20-6-5-7-21(27)15-20/h5-9,15-16,18,26H,3-4,10-14,17H2,1-2H3