2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N,N-diethyl-ethanamine oxide

Systemtic Name: 2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N,N-diethyl-ethanamine oxide Openeye Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethyl-ethanamine oxide CAS Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethylethanamine oxide IUPAC Name: 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diethylethanamine oxide Traditional Name: 2-[7-chloro-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]-N,N-diethyl-ethanamine oxide Formula: C21H23ClFN3O2 MolecularWeight: 403.877623

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)[O-]

Isomeric SMILES

CC[N+](CC)(CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)[O-]

InChI

InChI=1S/C21H23ClFN3O2/c1-3-26(28,4-2)12-11-25-19-10-9-15(22)13-17(19)21(24-14-20(25)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3