1-[(4R)-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(4R)-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4R)-2,2-dimethyl-7-(trifluoromethyl)chroman-4-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4R)-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4R)-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[(4R)-2,2-dimethyl-7-(trifluoromethyl)chroman-4-yl]-3-(5-isoquinolyl)urea Formula: C22H20F3N3O2 MolecularWeight: 415.40831

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1(C[C@H](C2=C(O1)C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C22H20F3N3O2/c1-21(2)11-18(16-7-6-14(22(23,24)25)10-19(16)30-21)28-20(29)27-17-5-3-4-13-12-26-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,27,28,29)/t18-/m1/s1