2-[2-[2-(4-nitrophenyl)piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 2-[2-[2-(4-nitrophenyl)piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-[2-(4-nitrophenyl)-1-piperidyl]ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[2-(4-nitrophenyl)-1-piperidinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-[2-(4-nitrophenyl)piperidin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-[2-(4-nitrophenyl)piperidino]ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

C1CCN(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C25H25N3O4/c29-24-20-7-3-5-18-6-4-8-21(23(18)20)25(30)27(24)16-15-26-14-2-1-9-22(26)17-10-12-19(13-11-17)28(31)32/h3-8,10-13,22,24,29H,1-2,9,14-16H2