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

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[3-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[3-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[3-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea Formula: C21H20F3N5O MolecularWeight: 415.41161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(C3)C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(C3)C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O/c1-13-15-4-2-6-18(16(15)7-10-25-13)28-20(30)27-14-8-11-29(12-14)19-17(21(22,23)24)5-3-9-26-19/h2-7,9-10,14H,8,11-12H2,1H3,(H2,27,28,30)