1-[(2S)-1-[3,4-bis(fluoranyl)phenoxy]pentan-2-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(2S)-1-[3,4-bis(fluoranyl)phenoxy]pentan-2-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(1S)-1-[(3,4-difluorophenoxy)methyl]butyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(2S)-1-(3,4-difluorophenoxy)pentan-2-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(2S)-1-(3,4-difluorophenoxy)pentan-2-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[(1S)-1-[(3,4-difluorophenoxy)methyl]butyl]-3-(5-isoquinolyl)urea Formula: C21H21F2N3O2 MolecularWeight: 385.407146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F2N3O2/c1-2-4-15(13-28-16-7-8-18(22)19(23)11-16)25-21(27)26-20-6-3-5-14-12-24-10-9-17(14)20/h3,5-12,15H,2,4,13H2,1H3,(H2,25,26,27)/t15-/m0/s1