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

Systemtic Name: ethyl 2-azanyl-3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate Openeye Name: ethyl 2-amino-3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate CAS Name: 2-amino-3-[(4-bromophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate Traditional Name: 2-amino-3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1-carboxylic acid ethyl ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCCCN2C(=C1N)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C2CCCCCN2C(=C1N)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O3/c1-2-25-19(24)15-14-6-4-3-5-11-22(14)17(16(15)21)18(23)12-7-9-13(20)10-8-12/h7-10H,2-6,11,21H2,1H3