1-[2,4-bis(fluoranyl)phenyl]-3-(6-chloranyl-1-oxidanylidene-4-phenyl-2H-isoquinolin-3-yl)urea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-(6-chloranyl-1-oxidanylidene-4-phenyl-2H-isoquinolin-3-yl)urea Openeye Name: 1-(6-chloro-1-oxo-4-phenyl-2H-isoquinolin-3-yl)-3-(2,4-difluorophenyl)urea CAS Name: 1-(6-chloro-1-oxo-4-phenyl-2H-isoquinolin-3-yl)-3-(2,4-difluorophenyl)urea IUPAC Name: 1-(6-chloro-1-oxo-4-phenyl-2H-isoquinolin-3-yl)-3-(2,4-difluorophenyl)urea Traditional Name: 1-(6-chloro-1-keto-4-phenyl-2H-isoquinolin-3-yl)-3-(2,4-difluorophenyl)urea Formula: C22H14ClF2N3O2 MolecularWeight: 425.815266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=O)C3=C2C=C(C=C3)Cl)NC(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=O)C3=C2C=C(C=C3)Cl)NC(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H14ClF2N3O2/c23-13-6-8-15-16(10-13)19(12-4-2-1-3-5-12)20(27-21(15)29)28-22(30)26-18-9-7-14(24)11-17(18)25/h1-11H,(H3,26,27,28,29,30)