3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 4-chloranylbenzoate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 4-chloranylbenzoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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)C5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O4/c28-19-10-8-18(9-11-19)27(33)34-17-5-16-30-25(31)21-7-4-6-20-23(29-14-2-1-3-15-29)13-12-22(24(20)21)26(30)32/h4,6-13H,1-3,5,14-17H2