1-(1-methylisoquinolin-5-yl)-3-[1-[6-methyl-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-methyl-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-methyl-5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-methyl-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-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(C=CC(=N1)N2CCC(C2)NC(=O)NC3=CC=CC4=C3C=CN=C4C)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=N1)N2CCC(C2)NC(=O)NC3=CC=CC4=C3C=CN=C4C)C(F)(F)F

InChI

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