2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-allylpiperazin-1-yl)propan-1-one CAS Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-allylpiperazino)propan-1-one Formula: C27H32FN3O3 MolecularWeight: 465.559683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

InChI

InChI=1S/C27H32FN3O3/c1-4-11-29-13-15-30(16-14-29)27(33)19(2)34-24-9-8-21-10-12-31(20(3)32)26(25(21)18-24)22-6-5-7-23(28)17-22/h4-9,17-19,26H,1,10-16H2,2-3H3