2,2-dimethyl-1-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-[4-nitro-3-(4-phenylpiperazino)phenyl]piperazino]propan-1-one Formula: C25H33N5O3 MolecularWeight: 451.56122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N5O3/c1-25(2,3)24(31)29-17-13-27(14-18-29)21-9-10-22(30(32)33)23(19-21)28-15-11-26(12-16-28)20-7-5-4-6-8-20/h4-10,19H,11-18H2,1-3H3