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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl benzoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4/c30-25-21-12-7-11-20-23(28-15-5-2-6-16-28)14-13-22(24(20)21)26(31)29(25)17-8-18-33-27(32)19-9-3-1-4-10-19/h1,3-4,7,9-14H,2,5-6,8,15-18H2