1-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]hexan-1-one

Systemtic Name: 1-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[4-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]hexan-1-one CAS Name: 1-[4-[4-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[4-nitro-3-(4-propylpiperidino)phenoxy]phenyl]hexan-1-one Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])N3CCC(CC3)CCC

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])N3CCC(CC3)CCC

InChI

InChI=1S/C26H34N2O4/c1-3-5-6-8-26(29)21-9-11-22(12-10-21)32-23-13-14-24(28(30)31)25(19-23)27-17-15-20(7-4-2)16-18-27/h9-14,19-20H,3-8,15-18H2,1-2H3