3-oxidanyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 3-oxidanyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[4-[4-(2-pyridyl)piperazino]butyl]-3H-benzo[de]isoquinolin-1-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)C5=CC=CC=N5

InChI

InChI=1S/C25H28N4O2/c30-24-20-9-5-7-19-8-6-10-21(23(19)20)25(31)29(24)14-4-3-13-27-15-17-28(18-16-27)22-11-1-2-12-26-22/h1-2,5-12,24,30H,3-4,13-18H2