8-chloranyl-6-(2-fluorophenyl)-5-oxidanidyl-3-pyrrolidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium

Systemtic Name: 8-chloranyl-6-(2-fluorophenyl)-5-oxidanidyl-3-pyrrolidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium Openeye Name: 8-chloro-6-(2-fluorophenyl)-5-oxido-3-pyrrolidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium CAS Name: 8-chloro-6-(2-fluorophenyl)-5-oxido-3-(1-pyrrolidinyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-chloro-6-(2-fluorophenyl)-5-oxido-3-pyrrolidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium Traditional Name: 8-chloro-6-(2-fluorophenyl)-5-oxido-3-pyrrolidino-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium Formula: C21H18ClFN4O MolecularWeight: 396.845223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C3C[N+](=C(C4=C(N3C=N2)C=CC(=C4)Cl)C5=CC=CC=C5F)[O-]

Isomeric SMILES

C1CCN(C1)C2=C3C[N+](=C(C4=C(N3C=N2)C=CC(=C4)Cl)C5=CC=CC=C5F)[O-]

InChI

InChI=1S/C21H18ClFN4O/c22-14-7-8-18-16(11-14)20(15-5-1-2-6-17(15)23)27(28)12-19-21(24-13-26(18)19)25-9-3-4-10-25/h1-2,5-8,11,13H,3-4,9-10,12H2