N-[1-[4,4-bis(4-fluorophenyl)butyl]-3-oxidanyl-piperidin-4-yl]-4-nitro-benzamide

Systemtic Name: N-[1-[4,4-bis(4-fluorophenyl)butyl]-3-oxidanyl-piperidin-4-yl]-4-nitro-benzamide Openeye Name: N-[1-[4,4-bis(4-fluorophenyl)butyl]-3-hydroxy-4-piperidyl]-4-nitro-benzamide CAS Name: N-[1-[4,4-bis(4-fluorophenyl)butyl]-3-hydroxy-4-piperidinyl]-4-nitrobenzamide IUPAC Name: N-[1-[4,4-bis(4-fluorophenyl)butyl]-3-hydroxypiperidin-4-yl]-4-nitrobenzamide Traditional Name: N-[1-[4,4-bis(4-fluorophenyl)butyl]-3-hydroxy-4-piperidyl]-4-nitro-benzamide Formula: C28H29F2N3O4 MolecularWeight: 509.544366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC(C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H29F2N3O4/c29-22-9-3-19(4-10-22)25(20-5-11-23(30)12-6-20)2-1-16-32-17-15-26(27(34)18-32)31-28(35)21-7-13-24(14-8-21)33(36)37/h3-14,25-27,34H,1-2,15-18H2,(H,31,35)