8-chloranyl-1-phenyl-3,4-dihydro-2-benzazepin-5-one; methanesulfonic acid

Systemtic Name: 8-chloranyl-1-phenyl-3,4-dihydro-2-benzazepin-5-one; methanesulfonic acid Openeye Name: 8-chloro-1-phenyl-3,4-dihydro-2-benzazepin-5-one; methanesulfonic acid CAS Name: 8-chloro-1-phenyl-3,4-dihydro-2-benzazepin-5-one; methanesulfonic acid IUPAC Name: 8-chloro-1-phenyl-3,4-dihydro-2-benzazepin-5-one; methanesulfonic acid Traditional Name: 8-chloro-1-phenyl-3,4-dihydro-2-benzazepin-5-one; mesylic acid Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O.C1CN=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H12ClNO.CH4O3S/c17-12-6-7-13-14(10-12)16(18-9-8-15(13)19)11-4-2-1-3-5-11;1-5(2,3)4/h1-7,10H,8-9H2;1H3,(H,2,3,4)