methyl 3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: methyl 3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: methyl 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid methyl ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrNO3/c1-23-18(22)14-4-2-3-11-20-15(14)9-10-16(20)17(21)12-5-7-13(19)8-6-12/h5-10,14H,2-4,11H2,1H3