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

Systemtic Name: 1-(3-azanylisoquinolin-5-yl)-3-[(4R)-7-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea Openeye Name: 1-(3-amino-5-isoquinolyl)-3-[(4R)-7-fluoro-2,2-dimethyl-chroman-4-yl]urea CAS Name: 1-(3-amino-5-isoquinolinyl)-3-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]urea IUPAC Name: 1-(3-aminoisoquinolin-5-yl)-3-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea Traditional Name: 1-(3-amino-5-isoquinolyl)-3-[(4R)-7-fluoro-2,2-dimethyl-chroman-4-yl]urea Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=C(C=C2)F)NC(=O)NC3=CC=CC4=CN=C(C=C43)N)C

Isomeric SMILES

CC1(C[C@H](C2=C(O1)C=C(C=C2)F)NC(=O)NC3=CC=CC4=CN=C(C=C43)N)C

InChI

InChI=1S/C21H21FN4O2/c1-21(2)10-17(14-7-6-13(22)8-18(14)28-21)26-20(27)25-16-5-3-4-12-11-24-19(23)9-15(12)16/h3-9,11,17H,10H2,1-2H3,(H2,23,24)(H2,25,26,27)/t17-/m1/s1