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

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[3-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[3-(trifluoromethyl)-2-pyridyl]-4-piperidyl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[3-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[3-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[3-(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=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

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

InChI

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