9-chloranyl-7-(2-fluorophenyl)-6-oxidanidyl-5H-pyrimido[5,4-d][2]benzazepin-6-ium

Systemtic Name: 9-chloranyl-7-(2-fluorophenyl)-6-oxidanidyl-5H-pyrimido[5,4-d][2]benzazepin-6-ium Openeye Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium CAS Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium IUPAC Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium Traditional Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium Formula: C18H11ClFN3O MolecularWeight: 339.750843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=CN=C2C3=C(C=C(C=C3)Cl)C(=[N+]1[O-])C4=CC=CC=C4F

Isomeric SMILES

C1C2=CN=CN=C2C3=C(C=C(C=C3)Cl)C(=[N+]1[O-])C4=CC=CC=C4F

InChI

InChI=1S/C18H11ClFN3O/c19-12-5-6-13-15(7-12)18(14-3-1-2-4-16(14)20)23(24)9-11-8-21-10-22-17(11)13/h1-8,10H,9H2