1-[(2S)-1-(3-chloranyl-4-fluoranyl-phenoxy)butan-2-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(2S)-1-(3-chloranyl-4-fluoranyl-phenoxy)butan-2-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(1S)-1-[(3-chloro-4-fluoro-phenoxy)methyl]propyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(2S)-1-(3-chloro-4-fluorophenoxy)butan-2-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(2S)-1-(3-chloro-4-fluorophenoxy)butan-2-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[(1S)-1-[(3-chloro-4-fluoro-phenoxy)methyl]propyl]-3-(5-isoquinolyl)urea Formula: C20H19ClFN3O2 MolecularWeight: 387.835163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC(=C(C=C1)F)Cl)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC[C@@H](COC1=CC(=C(C=C1)F)Cl)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H19ClFN3O2/c1-2-14(12-27-15-6-7-18(22)17(21)10-15)24-20(26)25-19-5-3-4-13-11-23-9-8-16(13)19/h3-11,14H,2,12H2,1H3,(H2,24,25,26)/t14-/m0/s1