1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]propan-1-one Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3/c1-2-20(25)23-12-10-22(11-13-23)17-8-9-19(24(26)27)18(14-17)21-15-16-6-4-3-5-7-16/h3-9,14,21H,2,10-13,15H2,1H3