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

Systemtic Name: 9-chloranyl-7-(2-fluorophenyl)-6-oxidanidyl-5H-pyrimido[5,4-d][2]benzazepin-6-ium-2-amine Openeye Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium-2-amine CAS Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium-2-amine IUPAC Name: 9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium-2-amine Traditional Name: [9-chloro-7-(2-fluorophenyl)-6-oxido-5H-pyrimido[5,4-d][2]benzazepin-6-ium-2-yl]amine Formula: C18H12ClFN4O MolecularWeight: 354.765483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClFN4O/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)24(25)9-10-8-22-18(21)23-16(10)12/h1-8H,9H2,(H2,21,22,23)