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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl adamantane-1-carboxylate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic 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 adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C31H36N2O4 MolecularWeight: 500.62854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O4/c34-28-24-7-4-6-23-26(32-10-2-1-3-11-32)9-8-25(27(23)24)29(35)33(28)12-5-13-37-30(36)31-17-20-14-21(18-31)16-22(15-20)19-31/h4,6-9,20-22H,1-3,5,10-19H2