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

Systemtic Name: propan-2-yl 3-(3-bromophenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(3-bromobenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(3-bromophenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-bromobenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(3-bromobenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrNO3/c1-13(2)26-21(25)17-9-4-5-10-23-18(17)11-14(3)19(23)20(24)15-7-6-8-16(22)12-15/h6-8,11-13,17H,4-5,9-10H2,1-3H3