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

Systemtic Name: methyl 2-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: methyl 2-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 2-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-benzoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid methyl ester Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN2C1=CC(=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCCCN2C1=CC(=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO3/c1-22-18(21)15-9-5-6-10-19-12-14(11-16(15)19)17(20)13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3