1-[4-(7-azanylisoquinolin-4-yl)oxyphenyl]-3-[4-bromanyl-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(7-azanylisoquinolin-4-yl)oxyphenyl]-3-[4-bromanyl-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-[(7-amino-4-isoquinolyl)oxy]phenyl]-3-[4-bromo-3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[(7-amino-4-isoquinolinyl)oxy]phenyl]-3-[4-bromo-3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(7-aminoisoquinolin-4-yl)oxyphenyl]-3-[4-bromo-3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-[(7-amino-4-isoquinolyl)oxy]phenyl]-3-[4-bromo-3-(trifluoromethyl)phenyl]urea Formula: C23H16BrF3N4O2 MolecularWeight: 517.29795

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC3=C4C=CC(=CC4=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC3=C4C=CC(=CC4=CN=C3)N

InChI

InChI=1S/C23H16BrF3N4O2/c24-20-8-4-16(10-19(20)23(25,26)27)31-22(32)30-15-2-5-17(6-3-15)33-21-12-29-11-13-9-14(28)1-7-18(13)21/h1-12H,28H2,(H2,30,31,32)