1-isoquinolin-5-yl-3-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]urea Openeye Name: 1-(5-isoquinolyl)-3-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]urea Traditional Name: 1-(5-isoquinolyl)-3-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]urea Formula: C21H20F3N5O MolecularWeight: 415.41161

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H20F3N5O/c22-21(23,24)15-6-7-19(26-12-15)29-10-2-4-16(13-29)27-20(30)28-18-5-1-3-14-11-25-9-8-17(14)18/h1,3,5-9,11-12,16H,2,4,10,13H2,(H2,27,28,30)