1-[4-(3-azanyl-1,2-benzoxazol-4-yl)phenyl]-3-(3-cyano-4-fluoranyl-phenyl)urea

Systemtic Name: 1-[4-(3-azanyl-1,2-benzoxazol-4-yl)phenyl]-3-(3-cyano-4-fluoranyl-phenyl)urea Openeye Name: 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(3-cyano-4-fluoro-phenyl)urea CAS Name: 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(3-cyano-4-fluorophenyl)urea IUPAC Name: 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(3-cyano-4-fluorophenyl)urea Traditional Name: 1-[4-(3-aminoindoxazen-4-yl)phenyl]-3-(3-cyano-4-fluoro-phenyl)urea Formula: C21H14FN5O2 MolecularWeight: 387.366563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)ON=C2N)C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)C#N

Isomeric SMILES

C1=CC(=C2C(=C1)ON=C2N)C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C21H14FN5O2/c22-17-9-8-15(10-13(17)11-23)26-21(28)25-14-6-4-12(5-7-14)16-2-1-3-18-19(16)20(24)27-29-18/h1-10H,(H2,24,27)(H2,25,26,28)