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

Systemtic Name: 1-[(4R)-8-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4R)-8-fluoro-2,2-dimethyl-chroman-4-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4R)-8-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4R)-8-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[(4R)-8-fluoro-2,2-dimethyl-chroman-4-yl]-3-(5-isoquinolyl)urea Formula: C21H20FN3O2 MolecularWeight: 365.400803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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