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

Systemtic Name: 3-(4-chlorophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: 3-(4-chlorobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: 3-(4-chlorobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C17H15ClNO3- MolecularWeight: 316.7589

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=CC=C2C(=O)C3=CC=C(C=C3)Cl)C(C1)C(=O)[O-]

Isomeric SMILES

C1CCN2C(=CC=C2C(=O)C3=CC=C(C=C3)Cl)C(C1)C(=O)[O-]

InChI

InChI=1S/C17H16ClNO3/c18-12-6-4-11(5-7-12)16(20)15-9-8-14-13(17(21)22)3-1-2-10-19(14)15/h4-9,13H,1-3,10H2,(H,21,22)/p-1