1-[(4R)-6,8-bis(fluoranyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(4R)-6,8-bis(fluoranyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4R)-6,8-difluoro-2,2-dimethyl-chroman-4-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[(4R)-6,8-difluoro-2,2-dimethyl-chroman-4-yl]-3-(5-isoquinolyl)urea Formula: C21H19F2N3O2 MolecularWeight: 383.391266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC(=CC(=C2O1)F)F)NC(=O)NC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1(C[C@H](C2=CC(=CC(=C2O1)F)F)NC(=O)NC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C21H19F2N3O2/c1-21(2)10-18(15-8-13(22)9-16(23)19(15)28-21)26-20(27)25-17-5-3-4-12-11-24-7-6-14(12)17/h3-9,11,18H,10H2,1-2H3,(H2,25,26,27)/t18-/m1/s1