1-[4-[4-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(5-nitro-2-pyrrolidin-1-yl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(5-nitro-2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(5-nitro-2-pyrrolidino-benzoyl)piperazino]phenyl]ethanone Formula: C23H26N4O4 MolecularWeight: 422.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H26N4O4/c1-17(28)18-4-6-19(7-5-18)24-12-14-26(15-13-24)23(29)21-16-20(27(30)31)8-9-22(21)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3