3-chloranyl-5-(2-fluorophenyl)-7H-benzo[d][2]benzazepine; methanesulfonic acid

Systemtic Name: 3-chloranyl-5-(2-fluorophenyl)-7H-benzo[d][2]benzazepine; methanesulfonic acid Openeye Name: 3-chloro-5-(2-fluorophenyl)-7H-benzo[d][2]benzazepine; methanesulfonic acid CAS Name: 3-chloro-5-(2-fluorophenyl)-7H-benzo[d][2]benzazepine; methanesulfonic acid IUPAC Name: 3-chloro-5-(2-fluorophenyl)-7H-benzo[d][2]benzazepine; methanesulfonic acid Traditional Name: 3-chloro-5-(2-fluorophenyl)-7H-benzo[d][2]benzazepine; mesylic acid Formula: C21H17ClFNO3S MolecularWeight: 417.880983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1C2=CC=CC=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F

Isomeric SMILES

CS(=O)(=O)O.C1C2=CC=CC=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F

InChI

InChI=1S/C20H13ClFN.CH4O3S/c21-14-9-10-16-15-6-2-1-5-13(15)12-23-20(18(16)11-14)17-7-3-4-8-19(17)22;1-5(2,3)4/h1-11H,12H2;1H3,(H,2,3,4)