4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-methyl-2-nitro-aniline Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-2-nitro-aniline CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-N-methyl-2-nitroaniline IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-2-nitroaniline Traditional Name: [4-[(4-benzhydrylpiperazino)methyl]-2-nitro-phenyl]-methyl-amine Formula: C25H28N4O2 MolecularWeight: 416.51542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O2/c1-26-23-13-12-20(18-24(23)29(30)31)19-27-14-16-28(17-15-27)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,25-26H,14-17,19H2,1H3