1-[1-[3-bromanyl-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-[3-bromanyl-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea Openeye Name: 1-[1-[3-bromo-5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]-3-(1,3-dimethyl-5-isoquinolyl)urea CAS Name: 1-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]-3-(1,3-dimethyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-[3-bromo-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea Traditional Name: 1-[1-[3-bromo-5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]-3-(1,3-dimethyl-5-isoquinolyl)urea Formula: C22H21BrF3N5O MolecularWeight: 508.33425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)C4=C(C=C(C=N4)C(F)(F)F)Br)C

Isomeric SMILES

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)C4=C(C=C(C=N4)C(F)(F)F)Br)C

InChI

InChI=1S/C22H21BrF3N5O/c1-12-8-17-16(13(2)28-12)4-3-5-19(17)30-21(32)29-15-6-7-31(11-15)20-18(23)9-14(10-27-20)22(24,25)26/h3-5,8-10,15H,6-7,11H2,1-2H3,(H2,29,30,32)