1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazino]butan-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-3-7-22(27)25-14-12-24(13-15-25)19-10-11-21(26(28)29)20(16-19)23-17(2)18-8-5-4-6-9-18/h4-6,8-11,16-17,23H,3,7,12-15H2,1-2H3/t17-/m1/s1