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

Systemtic Name: 2-[4-[4-(4-nitrophenyl)-4-oxidanyl-piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-hydroxy-4-(4-nitrophenyl)-1-piperidyl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-hydroxy-4-(4-nitrophenyl)-1-piperidinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-hydroxy-4-(4-nitrophenyl)piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[4-hydroxy-4-(4-nitrophenyl)piperidino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)[N+](=O)[O-])O)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)[N+](=O)[O-])O)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H27N3O5/c31-25-22-7-3-5-19-6-4-8-23(24(19)22)26(32)29(25)16-2-1-15-28-17-13-27(33,14-18-28)20-9-11-21(12-10-20)30(34)35/h3-12,33H,1-2,13-18H2