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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl pentanoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O

Isomeric SMILES

CCCCC(=O)OCCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O

InChI

InChI=1S/C24H28N2O4/c1-2-3-10-21(27)30-16-15-26-23(28)18-9-7-8-17-20(25-13-5-4-6-14-25)12-11-19(22(17)18)24(26)29/h7-9,11-12H,2-6,10,13-16H2,1H3