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

Systemtic Name: 1-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]pentan-1-one Openeye Name: 1-[4-[4-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]pentan-1-one CAS Name: 1-[4-[4-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]-1-pentanone IUPAC Name: 1-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]pentan-1-one Traditional Name: 1-[4-[4-nitro-3-(4-propylpiperidino)phenoxy]phenyl]pentan-1-one Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-3-5-7-25(28)20-8-10-21(11-9-20)31-22-12-13-23(27(29)30)24(18-22)26-16-14-19(6-4-2)15-17-26/h8-13,18-19H,3-7,14-17H2,1-2H3