1-[2-(7-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[2-(7-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-[2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-[2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-[2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(1-methyl-5-isoquinolyl)urea Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NCCN3CCOC4=C3C=CC(=C4)F

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NCCN3CCOC4=C3C=CC(=C4)F

InChI

InChI=1S/C21H21FN4O2/c1-14-16-3-2-4-18(17(16)7-8-23-14)25-21(27)24-9-10-26-11-12-28-20-13-15(22)5-6-19(20)26/h2-8,13H,9-12H2,1H3,(H2,24,25,27)