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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl pentanoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCCCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O

Isomeric SMILES

CCCCC(=O)OCCCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O

InChI

InChI=1S/C25H30N2O4/c1-2-3-11-22(28)31-17-8-16-27-24(29)19-10-7-9-18-21(26-14-5-4-6-15-26)13-12-20(23(18)19)25(27)30/h7,9-10,12-13H,2-6,8,11,14-17H2,1H3