[2-[2-(dimethylamino)pyrimidin-4-yl]-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [2-[2-(dimethylamino)pyrimidin-4-yl]-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-[2-(dimethylamino)pyrimidin-4-yl]-1-[[4-[2-(2-piperidyl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [2-[2-(dimethylamino)-4-pyrimidinyl]-1-[[4-[2-(2-piperidinyl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester IUPAC Name: [2-[2-(dimethylamino)pyrimidin-4-yl]-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [2-[2-(dimethylamino)pyrimidin-4-yl]-1-[4-[2-(2-piperidyl)ethoxy]benzyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester Formula: C31H36F3N5O3 MolecularWeight: 583.64445

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=N1)N2CCC3=C(C2CC4=CC=C(C=C4)OCCC5CCCCN5)C=CC(=C3)OC(=O)C(F)(F)F

Isomeric SMILES

CN(C)C1=NC=CC(=N1)N2CCC3=C(C2CC4=CC=C(C=C4)OCCC5CCCCN5)C=CC(=C3)OC(=O)C(F)(F)F

InChI

InChI=1S/C31H36F3N5O3/c1-38(2)30-36-16-12-28(37-30)39-17-13-22-20-25(42-29(40)31(32,33)34)10-11-26(22)27(39)19-21-6-8-24(9-7-21)41-18-14-23-5-3-4-15-35-23/h6-12,16,20,23,27,35H,3-5,13-15,17-19H2,1-2H3