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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl thiophene-2-carboxylate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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 thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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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=CS5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCOC(=O)C5=CC=CS5

InChI

InChI=1S/C25H24N2O4S/c28-23-18-8-4-7-17-20(26-12-2-1-3-13-26)11-10-19(22(17)18)24(29)27(23)14-6-15-31-25(30)21-9-5-16-32-21/h4-5,7-11,16H,1-3,6,12-15H2