2-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-hydroxy-4-phenyl-1-piperidyl)butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(4-hydroxy-4-phenyl-1-piperidinyl)butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(4-hydroxy-4-phenyl-piperidino)butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H28N2O3/c30-25-22-12-6-8-20-9-7-13-23(24(20)22)26(31)29(25)17-5-4-16-28-18-14-27(32,15-19-28)21-10-2-1-3-11-21/h1-3,6-13,32H,4-5,14-19H2