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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl adamantane-1-carboxylate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic 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 adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C30H34N2O4 MolecularWeight: 486.60196

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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)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H34N2O4/c33-27-23-6-4-5-22-25(31-9-2-1-3-10-31)8-7-24(26(22)23)28(34)32(27)11-12-36-29(35)30-16-19-13-20(17-30)15-21(14-19)18-30/h4-8,19-21H,1-3,9-18H2