1-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(3-fluoro-4-pyrrolidin-1-yl-phenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[[3-fluoro-4-(1-pyrrolidinyl)phenyl]methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(3-fluoro-4-pyrrolidino-benzyl)-3-(5-isoquinolyl)urea Formula: C21H21FN4O MolecularWeight: 364.416043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4)F

InChI

InChI=1S/C21H21FN4O/c22-18-12-15(6-7-20(18)26-10-1-2-11-26)13-24-21(27)25-19-5-3-4-16-14-23-9-8-17(16)19/h3-9,12,14H,1-2,10-11,13H2,(H2,24,25,27)