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

Systemtic Name: 1-[(4R)-6-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-8-yl-urea Openeye Name: 1-[(4R)-6-fluoro-2,2-dimethyl-chroman-4-yl]-3-(8-isoquinolyl)urea CAS Name: 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(8-isoquinolinyl)urea IUPAC Name: 1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-8-ylurea Traditional Name: 1-[(4R)-6-fluoro-2,2-dimethyl-chroman-4-yl]-3-(8-isoquinolyl)urea Formula: C21H20FN3O2 MolecularWeight: 365.400803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O2/c1-21(2)11-18(15-10-14(22)6-7-19(15)27-21)25-20(26)24-17-5-3-4-13-8-9-23-12-16(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/m1/s1