(2,4-dinitrophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2,4-dinitrophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2,4-dinitrophenyl)methanone CAS Name: (2,4-dinitrophenyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2,4-dinitrophenyl)methanone Traditional Name: (4-benzylpiperazino)-(2,4-dinitrophenyl)methanone Formula: C18H18N4O5 MolecularWeight: 370.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c23-18(16-7-6-15(21(24)25)12-17(16)22(26)27)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2