2-[[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 2-[[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[1-(4-fluorophenyl)-2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[[1-(4-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[1-(4-fluorophenyl)-2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-pyrrolidino-butan-1-one Formula: C27H33FN2O3 MolecularWeight: 452.560923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C(C)C)C=C2

Isomeric SMILES

CCC(C(=O)N1CCCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C(C)C)C=C2

InChI

InChI=1S/C27H33FN2O3/c1-4-24(27(32)29-14-5-6-15-29)33-22-12-9-19-13-16-30(26(31)18(2)3)25(23(19)17-22)20-7-10-21(28)11-8-20/h7-12,17-18,24-25H,4-6,13-16H2,1-3H3