ethyl 11-(2-bromanylpropanoyl)benzo[b][1]benzazepine-2-carboxylate

Systemtic Name: ethyl 11-(2-bromanylpropanoyl)benzo[b][1]benzazepine-2-carboxylate Openeye Name: ethyl 11-(2-bromopropanoyl)benzo[b][1]benzazepine-2-carboxylate CAS Name: 11-(2-bromo-1-oxopropyl)-2-benzo[b][1]benzazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 11-(2-bromopropanoyl)benzo[b][1]benzazepine-2-carboxylate Traditional Name: 11-(2-bromopropanoyl)benzo[b][1]benzazepine-2-carboxylic acid ethyl ester Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC3=CC=CC=C3N2C(=O)C(C)Br)C=C1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC3=CC=CC=C3N2C(=O)C(C)Br)C=C1

InChI

InChI=1S/C20H18BrNO3/c1-3-25-20(24)16-11-10-15-9-8-14-6-4-5-7-17(14)22(18(15)12-16)19(23)13(2)21/h4-13H,3H2,1-2H3