4-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C24H31N3O4 MolecularWeight: 425.52064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-24(2,3)19-6-12-22(13-7-19)31-18-4-5-23(28)26-16-14-25(15-17-26)20-8-10-21(11-9-20)27(29)30/h6-13H,4-5,14-18H2,1-3H3