3-azanyl-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide

Systemtic Name: 3-azanyl-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide Openeye Name: 3-amino-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide CAS Name: 3-amino-N-[3-[[[(3-fluoroanilino)-oxomethyl]amino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide IUPAC Name: 3-amino-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide Traditional Name: 3-amino-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]indoxazene-4-carboxamide Formula: C22H18FN5O3 MolecularWeight: 419.408423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C3C(=CC=C2)ON=C3N)CNC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C3C(=CC=C2)ON=C3N)CNC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H18FN5O3/c23-14-5-2-7-16(11-14)27-22(30)25-12-13-4-1-6-15(10-13)26-21(29)17-8-3-9-18-19(17)20(24)28-31-18/h1-11H,12H2,(H2,24,28)(H,26,29)(H2,25,27,30)