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

Systemtic Name: 2-[4-[2-(4-nitrophenyl)piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[2-(4-nitrophenyl)-1-piperidyl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[2-(4-nitrophenyl)-1-piperidinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[2-(4-nitrophenyl)piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[2-(4-nitrophenyl)piperidino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CCN(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H27N3O4/c31-26-22-9-5-7-20-8-6-10-23(25(20)22)27(32)29(26)18-4-3-17-28-16-2-1-11-24(28)19-12-14-21(15-13-19)30(33)34/h5-10,12-15,24H,1-4,11,16-18H2