[(5E)-8-bromanyl-6-(2-chlorophenyl)-3-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazocin-4-yl] 3-azanylpropanoate

Systemtic Name: [(5E)-8-bromanyl-6-(2-chlorophenyl)-3-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazocin-4-yl] 3-azanylpropanoate Openeye Name: [(5E)-8-bromo-6-(2-chlorophenyl)-3-oxo-2,4-dihydro-1H-1,5-benzodiazocin-4-yl] 3-aminopropanoate CAS Name: 3-aminopropanoic acid [(5E)-8-bromo-6-(2-chlorophenyl)-3-oxo-2,4-dihydro-1H-1,5-benzodiazocin-4-yl] ester IUPAC Name: [(5E)-8-bromo-6-(2-chlorophenyl)-3-oxo-2,4-dihydro-1H-1,5-benzodiazocin-4-yl] 3-aminopropanoate Traditional Name: 3-aminopropionic acid [(5E)-8-bromo-6-(2-chlorophenyl)-3-keto-2,4-dihydro-1H-1,5-benzodiazocin-4-yl] ester Formula: C19H17BrClN3O3 MolecularWeight: 450.71358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(N=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3Cl)OC(=O)CCN

Isomeric SMILES

C1C(=O)C(/N=C(\C2=C(N1)C=CC(=C2)Br)/C3=CC=CC=C3Cl)OC(=O)CCN

InChI

InChI=1S/C19H17BrClN3O3/c20-11-5-6-15-13(9-11)18(12-3-1-2-4-14(12)21)24-19(16(25)10-23-15)27-17(26)7-8-22/h1-6,9,19,23H,7-8,10,22H2/b24-18-