2,2,2-tris(fluoranyl)ethyl 4-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[[5-(1-piperidyl)-8-isoquinolyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[5-(1-piperidinyl)-8-isoquinolinyl]amino]methyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(5-piperidino-8-isoquinolyl)carbamoyl]piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C23H27F3N4O3 MolecularWeight: 464.48069

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4CCN(CC4)C(=O)OCC(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4CCN(CC4)C(=O)OCC(F)(F)F

InChI

InChI=1S/C23H27F3N4O3/c24-23(25,26)15-33-22(32)30-12-7-16(8-13-30)21(31)28-19-4-5-20(29-10-2-1-3-11-29)17-6-9-27-14-18(17)19/h4-6,9,14,16H,1-3,7-8,10-13,15H2,(H,28,31)