3-azanyl-9-fluoranyl-1,3,4,5-tetrahydro-1-benzazepin-2-one; ethanedioic acid

Systemtic Name: 3-azanyl-9-fluoranyl-1,3,4,5-tetrahydro-1-benzazepin-2-one; ethanedioic acid Openeye Name: 3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one; oxalic acid CAS Name: 3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one; oxalic acid IUPAC Name: 3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one; oxalic acid Traditional Name: 3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one; oxalic acid Formula: C22H24F2N4O6 MolecularWeight: 478.445966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)F)NC(=O)C1N.C1CC2=C(C(=CC=C2)F)NC(=O)C1N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C(=CC=C2)F)NC(=O)C1N.C1CC2=C(C(=CC=C2)F)NC(=O)C1N.C(=O)(C(=O)O)O

InChI

InChI=1S/2C10H11FN2O.C2H2O4/c2*11-7-3-1-2-6-4-5-8(12)10(14)13-9(6)7;3-1(4)2(5)6/h2*1-3,8H,4-5,12H2,(H,13,14);(H,3,4)(H,5,6)