1-[[3,5-bis(fluoranyl)-4-morpholin-4-yl-phenyl]methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[[3,5-bis(fluoranyl)-4-morpholin-4-yl-phenyl]methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(3,5-difluoro-4-morpholino-phenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[[3,5-difluoro-4-(4-morpholinyl)phenyl]methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(3,5-difluoro-4-morpholino-benzyl)-3-(5-isoquinolyl)urea Formula: C21H20F2N4O2 MolecularWeight: 398.405906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2F)CNC(=O)NC3=CC=CC4=C3C=CN=C4)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2F)CNC(=O)NC3=CC=CC4=C3C=CN=C4)F

InChI

InChI=1S/C21H20F2N4O2/c22-17-10-14(11-18(23)20(17)27-6-8-29-9-7-27)12-25-21(28)26-19-3-1-2-15-13-24-5-4-16(15)19/h1-5,10-11,13H,6-9,12H2,(H2,25,26,28)