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

Systemtic Name: 2-[4-[3-(4-bromophenyl)-3-oxidanyl-piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[3-(4-bromophenyl)-3-hydroxy-1-piperidyl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[3-(4-bromophenyl)-3-hydroxy-1-piperidinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[3-(4-bromophenyl)-3-hydroxypiperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[3-(4-bromophenyl)-3-hydroxy-piperidino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H27BrN2O3 MolecularWeight: 507.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)(C5=CC=C(C=C5)Br)O

Isomeric SMILES

C1CC(CN(C1)CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)(C5=CC=C(C=C5)Br)O

InChI

InChI=1S/C27H27BrN2O3/c28-21-12-10-20(11-13-21)27(33)14-5-16-29(18-27)15-1-2-17-30-25(31)22-8-3-6-19-7-4-9-23(24(19)22)26(30)32/h3-4,6-13,33H,1-2,5,14-18H2