4-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]butan-2-one CAS Name: 4-[4-[4-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]butan-2-one Traditional Name: 4-[4-[4-nitro-3-(4-propylpiperidino)phenoxy]phenyl]butan-2-one Formula: C24H30N2O4 MolecularWeight: 410.506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O4/c1-3-4-19-13-15-25(16-14-19)24-17-22(11-12-23(24)26(28)29)30-21-9-7-20(8-10-21)6-5-18(2)27/h7-12,17,19H,3-6,13-16H2,1-2H3