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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCCN3CCOC4=C3C=CC(=C4)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCCN3CCOC4=C3C=CC(=C4)F

InChI

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