2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3-bromanylbenzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3-bromanylbenzoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 2-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]ethyl ester IUPAC Name: 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C26H23BrN2O4 MolecularWeight: 507.37582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H23BrN2O4/c27-18-7-4-6-17(16-18)26(32)33-15-14-29-24(30)20-9-5-8-19-22(28-12-2-1-3-13-28)11-10-21(23(19)20)25(29)31/h4-11,16H,1-3,12-15H2