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

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[2-(trifluoromethyl)pyridin-4-yl]piperidin-4-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[2-(trifluoromethyl)-4-pyridyl]-4-piperidyl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[2-(trifluoromethyl)-4-pyridinyl]-4-piperidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[2-(trifluoromethyl)pyridin-4-yl]piperidin-4-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[2-(trifluoromethyl)-4-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(=NC=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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