1-(1-methylisoquinolin-5-yl)-3-[1-[3-methyl-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)C(F)(F)F)N2CCC(C2)NC(=O)NC3=CC=CC4=C3C=CN=C4C

Isomeric SMILES

CC1=C(N=CC(=C1)C(F)(F)F)N2CCC(C2)NC(=O)NC3=CC=CC4=C3C=CN=C4C

InChI

InChI=1S/C22H22F3N5O/c1-13-10-15(22(23,24)25)11-27-20(13)30-9-7-16(12-30)28-21(31)29-19-5-3-4-17-14(2)26-8-6-18(17)19/h3-6,8,10-11,16H,7,9,12H2,1-2H3,(H2,28,29,31)