2-(4-tert-butylphenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(6-nitro-3-pyridyl)piperazino]propan-1-one Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N4O4/c1-16(30-19-8-5-17(6-9-19)22(2,3)4)21(27)25-13-11-24(12-14-25)18-7-10-20(23-15-18)26(28)29/h5-10,15-16H,11-14H2,1-4H3