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

Systemtic Name: 1-isoquinolin-5-yl-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Openeye Name: 1-(5-isoquinolyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea CAS Name: 1-(5-isoquinolinyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea Traditional Name: 1-(5-isoquinolyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea Formula: C20H18F3N5O MolecularWeight: 401.38503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)NC2=CC=CC3=C2C=CN=C3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(C[C@@H]1NC(=O)NC2=CC=CC3=C2C=CN=C3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O/c21-20(22,23)14-4-5-18(25-11-14)28-9-7-15(12-28)26-19(29)27-17-3-1-2-13-10-24-8-6-16(13)17/h1-6,8,10-11,15H,7,9,12H2,(H2,26,27,29)/t15-/m1/s1