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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3/c1-23-18(22)14-7-2-3-10-20-15(14)8-9-16(20)17(21)12-5-4-6-13(19)11-12/h4-6,8-9,11,14H,2-3,7,10H2,1H3