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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 2-bromanylbenzoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 3-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C27H25BrN2O4 MolecularWeight: 521.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCOC(=O)C5=CC=CC=C5Br

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCOC(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C27H25BrN2O4/c28-22-11-3-2-8-18(22)27(33)34-17-7-16-30-25(31)20-10-6-9-19-23(29-14-4-1-5-15-29)13-12-21(24(19)20)26(30)32/h2-3,6,8-13H,1,4-5,7,14-17H2