2-(4-tert-butylphenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C27H36N4O4 MolecularWeight: 480.59914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C27H36N4O4/c1-27(2,3)21-7-10-23(11-8-21)35-20-26(32)30-17-15-28(16-18-30)22-9-12-24(31(33)34)25(19-22)29-13-5-4-6-14-29/h7-12,19H,4-6,13-18,20H2,1-3H3