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

Systemtic Name: 1-[1-(3-fluorophenyl)-7-(1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Openeye Name: 1-[1-(3-fluorophenyl)-7-[1-(pyrrolidine-1-carbonyl)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 1-[1-(3-fluorophenyl)-7-[1-oxo-1-(1-pyrrolidinyl)butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-butanone IUPAC Name: 1-[1-(3-fluorophenyl)-7-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one Traditional Name: 1-[1-(3-fluorophenyl)-7-[1-(pyrrolidine-1-carbonyl)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C28H35FN2O3 MolecularWeight: 466.587503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35FN2O3/c1-4-25(28(33)30-13-5-6-14-30)34-23-11-10-20-12-15-31(26(32)16-19(2)3)27(24(20)18-23)21-8-7-9-22(29)17-21/h7-11,17-19,25,27H,4-6,12-16H2,1-3H3