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2-ethyl-6,7-dimethoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-isoquinolin-1-one
2-ethyl-6,7-dimethoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-isoquinolin-1-one
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Descriptors Computed from Structure
Canonical SMILES:
CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
Isomeric SMILES
CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C25H26F3N3O4/c1-4-29-15-20(18-13-21(34-2)22(35-3)14-19(18)23(29)32)24(33)31-10-8-30(9-11-31)17-7-5-6-16(12-17)25(26,27)28/h5-7,12-15H,4,8-11H2,1-3H3
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