1-(1-methylisoquinolin-5-yl)-3-[1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]urea

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-(trifluoromethyl)-2-pyridyl]-4-piperidyl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-(trifluoromethyl)-2-pyridyl]-4-piperidyl]urea Formula: C22H22F3N5O MolecularWeight: 429.43819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(CC3)C4=CC=CC(=N4)C(F)(F)F

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(CC3)C4=CC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C22H22F3N5O/c1-14-16-4-2-5-18(17(16)8-11-26-14)28-21(31)27-15-9-12-30(13-10-15)20-7-3-6-19(29-20)22(23,24)25/h2-8,11,15H,9-10,12-13H2,1H3,(H2,27,28,31)