diethyl 8-bromanyl-3-ethanoyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-2,5-dicarboxylate

Systemtic Name: diethyl 8-bromanyl-3-ethanoyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-2,5-dicarboxylate Openeye Name: diethyl 3-acetyl-8-bromo-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-2,5-dicarboxylate CAS Name: 3-acetyl-8-bromo-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-2,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-acetyl-8-bromo-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-2,5-dicarboxylate Traditional Name: 3-acetyl-8-bromo-2,5a,6,10b-tetrahydro-1H-azepin[4,5-b]indole-2,5-dicarboxylic acid diethyl ester Formula: C20H23BrN2O5 MolecularWeight: 451.31102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C(C(=CN1C(=O)C)C(=O)OCC)NC3=C2C=CC(=C3)Br

Isomeric SMILES

CCOC(=O)C1CC2C(C(=CN1C(=O)C)C(=O)OCC)NC3=C2C=CC(=C3)Br

InChI

InChI=1S/C20H23BrN2O5/c1-4-27-19(25)15-10-23(11(3)24)17(20(26)28-5-2)9-14-13-7-6-12(21)8-16(13)22-18(14)15/h6-8,10,14,17-18,22H,4-5,9H2,1-3H3